Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | FABP6 | P51161 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12225575 | 1.00 | TP53 (0.43) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL962299 | 1.00 | TP53 (0.43) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL962492 | 0.88 | ALDH1A1 (0.54) | ALDH1A1TSHRFABP6LMNAMAPK1 | |
| SCHEMBL12626799 | 0.88 | ALDH1A1 (0.54) | ALDH1A1TSHRFABP6LMNAMAPK1 | |
| SCHEMBL5344959 | 0.87 | TP53 (0.50) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL17780215 | 0.86 | ALDH1A1 (0.53) | TP53ALDH1A1TSHRFABP6LMNA | |
| SCHEMBL765729 | 0.83 | TP53 (0.43) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL14984937 | 0.82 | TP53 (0.35) | TP53ALDH1A1TSHREPHX2KDM1A | |
| SCHEMBL23564023 | 0.82 | EPHX2 (0.40) | TP53TSHREPHX2SMYD3 | |
| SCHEMBL21556645 | 0.82 | TP53 (0.42) | TP53ALDH1A1TSHREPHX2KDM1A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9790221-B2 | Heteroaryl compounds as IRAK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2017-10-17 | — | — | US | disclosed |
| US-20170260174-A1 | Benzene, Pyridine, and Pyridazine Derivatives | ESANEX INC (US) | 2017-09-14 | — | — | US | disclosed |
| US-9656956-B2 | Benzene, pyridine, and pyridazine derivatives | ESANEX, INC. (US) | 2017-05-23 | — | — | US | disclosed |
| US-20160145252-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-05-26 | — | — | US | disclosed |
| US-20140343037-A1 | BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES | SERENEX, INC. | 2014-11-20 | — | — | US | disclosed |
| EP-1871772-B1 | QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE INC (US) | 2014-09-10 | — | — | EP | disclosed |
| US-20130137686-A1 | BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES | SERENEX, INC. | 2013-05-30 | — | — | US | disclosed |
| US-8309548-B2 | Benzene, pyridine, and pyridazine derivatives | SERENEX, INC. (US) | 2012-11-13 | — | — | US | disclosed |
| US-8044068-B2 | Aminopyrrolidine compound | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2011-10-25 | — | — | US | disclosed |
| US-8044045-B2 | Indazole-carboxamide compounds as 5-HT4 receptor agonists | THERAVANCE, INC. (US) | 2011-10-25 | — | — | US | disclosed |
| EP-1807422-A1 | 5-HT4 RECEPTOR AGONIST COMPOUNDS | Theravance, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| EP-1807423-A2 | QUINOLINONE-CARBOXAMIDE COMPOUNDS | Theravance, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006094063-A1 | QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2006-09-08 | — | — | WO | disclosed |
| US-20060199839-A1 | Quinolinone compounds as 5-HT4 receptor agonists | THERAVANCE, INC. | 2006-09-07 | — | — | US | disclosed |
| US-20060135764-A1 | Indazole-carboxamide compounds | THERAVANCE, INC. | 2006-06-22 | — | — | US | disclosed |
| WO-2006052889-A2 | QUINOLINONE-CARBOXAMIDE COMPOUNDS | THERAVANCE, INC. (US) | 2006-05-18 | — | — | WO | disclosed |
| WO-2006052640-A1 | 5-HT4 RECEPTOR AGONIST COMPOUNDS | THERAVANCE, INC. (US) | 2006-05-18 | — | — | WO | disclosed |
| US-20060100236-A1 | For therapy of disorder of reduced motility of gastrointestinal tract, chronic constipation, functional dyspepsia, delayed gastric emptying, gastroesophageal reflux disease, gastroparesis, diabetic and iodiopathic gastropathy, post-operative ileus, intestinal pseudo-obstruction, irritable bowel syndrome | THERAVANCE, INC. (US) | 2006-05-11 | — | — | US | disclosed |
| US-20060100426-A1 | Quinolinone-carboxamide compounds | THERAVANCE, INC. | 2006-05-11 | — | — | US | disclosed |
| US-20050197335-A1 | 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder | THERAVANCE BIOPHARMA R&D IP, LLC | 2005-09-08 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060199839-A1 | Quinolinone compounds as 5-HT4 receptor agonists | HTR4, HTR5A, HTR1A | TP53 4575/4885ALDH1A1 2375/4885TSHR 331/4885 |
| US-20130137686-A1 | BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES | CDK4, P2RX4, MKI67 | TP53 96/4885ALDH1A1 1049/4885TSHR 1413/4885 |
| US-20050197335-A1 | 1-isopropyl-1H-indazole-3-carboxylic acid {(1S,3R,5R)-8-[2-(4-acetylpiperazin-1-yl)-ethyl]8-azabicyclo[3.2.1]oct-3-yl}amide; improved pharmacokinetic, bioavailability; gastrointestinal disorders: irritable bowel syndrome (IBS), chronic constipation, dyspepsia; CNS behavioral, mood disorder | HTR4, HTR5A, HTR3C | TP53 4710/4885ALDH1A1 637/4885TSHR 345/4885 |
| US-20160145252-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | IRAK2, IRAK3, IRAK1 | TP53 2910/4885ALDH1A1 2580/4885TSHR 3880/4885 |
| US-20170260174-A1 | Benzene, Pyridine, and Pyridazine Derivatives | CDK4, P2RX4, MKI67 | TP53 96/4885ALDH1A1 1049/4885TSHR 1413/4885 |
| US-20060135764-A1 | Indazole-carboxamide compounds | HTR4, HTR5A, HTR3B | TP53 4661/4885ALDH1A1 1634/4885TSHR 350/4885 |
| US-20140343037-A1 | BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES | CDK4, P2RX4, MKI67 | TP53 96/4885ALDH1A1 1049/4885TSHR 1413/4885 |
| US-20060100236-A1 | For therapy of disorder of reduced motility of gastrointestinal tract, chronic constipation, functional dyspepsia, delayed gastric emptying, gastroesophageal reflux disease, gastroparesis, diabetic and iodiopathic gastropathy, post-operative ileus, intestinal pseudo-obstruction, irritable bowel syndrome | GIPR, GPR4, GPR119 | TP53 4440/4885ALDH1A1 3715/4885TSHR 157/4885 |
| US-20060100426-A1 | Quinolinone-carboxamide compounds | HTR4, HTR5A, HTR2C | TP53 4601/4885ALDH1A1 2114/4885TSHR 359/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.