Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6882189 | 0.82 | ALDH1A1 (0.57) | TAAR1ALDH1A1NOS1FFAR1PTGS2 | |
| SCHEMBL7188310 | 0.81 | TAAR1 (0.47) | TAAR1KMT2ANPC1CYP3A4CYP2D6 | |
| SCHEMBL5376375 | 0.80 | IDO1 (0.57) | ALDH1A1KMT2ARAB9ALMNAMAOB | |
| SCHEMBL6092819 | 0.78 | ALDH1A1 (0.45) | HPGDKDM4EALDH1A1TSHRKMT2A | |
| SCHEMBL4267757 | 0.78 | NPC1 (0.40) | HPGDKDM4EALDH1A1KMT2ANPC1 | |
| SCHEMBL29384271 | 0.77 | ALDH1A1 (0.55) | HPGDKDM4EALDH1A1TSHRKMT2A | |
| SCHEMBL8732450 | 0.77 | MAOA (0.47) | ALDH1A1TSHRKMT2ARAB9AFFAR1 | |
| SCHEMBL7611304 | 0.75 | CYP4A11 (0.58) | HPGDALDH1A1KMT2ACYP3A4HIF1A | |
| SCHEMBL4179478 | 0.75 | TSHR (0.56) | TAAR1KDM4EALDH1A1TSHRKMT2A | |
| SCHEMBL14076392 | 0.75 | THRA (0.55) | HPGDALDH1A1KMT2ANPC1CYP3A4 |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9181181-B2 | 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease | ALBIREO AB (SE) | 2015-11-10 | — | — | US | disclosed |
| US-20140303175-A1 | 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease | ALBIREO AB (SE) | 2014-10-09 | — | — | US | disclosed |
| US-8785681-B2 | 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease | ALBIREO AB (SE) | 2014-07-22 | — | — | US | disclosed |
| EP-2125711-B1 | 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALBIREO AB (SE) | 2013-11-06 | — | — | EP | disclosed |
| US-20110166157-A1 | 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease | ALBIREO AB (SE) | 2011-07-07 | — | — | US | disclosed |
| US-20110021534-A1 | 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALBIREO AB (SE) | 2011-01-27 | — | — | US | disclosed |
| CN-101790512-A | 2 -substituted- 3 -phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel | ALBIREO AB | 2010-07-28 | — | — | CN | disclosed |
| CN-100567293-C | Non-aryl-heterocycle NMDA/NR2B antagonist that N-replaces | MERCK & CO INC (US) | 2009-12-09 | — | — | CN | disclosed |
| EP-2125711-A1 | 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | Albireo Ab (SE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008108735-A1 | 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALBIREO AB (SE) | 2008-09-12 | — | — | WO | disclosed |
| EP-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| CN-1503793-A | N-substituted non-aryl-heterocyclic NMDA/NR2B antagonists | — | 2004-06-09 | — | — | CN | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-1390034-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-02-25 | — | — | EP | disclosed |
| EP-1379520-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| US-20030119811-A1 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK SHARP & DOHME CORP. | 2003-06-26 | — | — | US | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| US-20020165241-A1 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK SHARP & DOHME LLC | 2002-11-07 | — | — | US | disclosed |
| WO-2002080928-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-10-17 | — | — | WO | disclosed |
| WO-2002068409-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-09-06 | — | — | WO | 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 (5 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-20110021534-A1 | 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | TPMT, FABP2, PTGES2 | TAAR1 2603/4885HPGD 423/4885KDM4E 841/4885 |
| US-20030119811-A1 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | GRIN1, GRIN2B, GRIN2A | TAAR1 323/4885HPGD 912/4885KDM4E 2754/4885 |
| US-20140303175-A1 | 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease | TPMT, FABP2, PTGES3 | TAAR1 2977/4885HPGD 371/4885KDM4E 1332/4885 |
| US-20110166157-A1 | 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease | TPMT, FABP2, PTGES3 | TAAR1 2977/4885HPGD 371/4885KDM4E 1332/4885 |
| US-20020165241-A1 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | GRIN1, GRIN2B, GRIN2A | TAAR1 327/4885HPGD 992/4885KDM4E 2372/4885 |
“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.