Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 8/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6654049 | 0.98 | TACR1 (0.43) | TACR1S1PR1IDO1P2RX1DRD2 | |
| SCHEMBL28095786 | 0.88 | TACR1 (0.37) | TACR1S1PR1P2RX1DRD2HTR2A | |
| SCHEMBL28096130 | 0.87 | P2RX1 (0.38) | TACR1S1PR1P2RX1 | |
| SCHEMBL28095785 | 0.87 | SIGMAR1 (0.38) | TACR1S1PR1IDO1NOS1NOS2 | |
| SCHEMBL5543914 | 0.81 | TACR1 (0.43) | TACR1S1PR1IDO1P2RX1CES2 | |
| SCHEMBL4617153 | 0.80 | CETP (0.43) | HTR2AHTR2CCYP3A4MAPK1TSHR | |
| SCHEMBL4616383 | 0.78 | KIF11 (0.44) | TSHR | |
| SCHEMBL18403087 | 0.78 | NOTUM (0.60) | TACR1CES2HDAC8TDP1MAPT | |
| SCHEMBL657091 | 0.77 | TACR1 (0.43) | TACR1S1PR1IDO1P2RX1CES2 | |
| SCHEMBL7694014 | 0.77 | TACR1 (0.43) | TACR1S1PR1IDO1P2RX1CES2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39921-E1 | Chemical compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2007-11-13 | — | — | US | disclosed |
| WO-2006103342-A9 | INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SERVIER LAB (FR) | 2007-10-25 | — | — | WO | disclosed |
| WO-2006103342-A2 | INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | LES LABORATOIRES SERVIER (FR) | 2006-10-05 | — | — | WO | disclosed |
| US-7084140-B2 | Arylglycinamide derivatives, method of producing said derivatives and pharmaceutical compositions containing these compounds | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2006-08-01 | — | — | US | disclosed |
| US-20040209893-A1 | treatment of a condition mediated by a tachykinin including substance P and other neurokinins by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic Acid (3,5-bistrifuoromethyl-benzyl)-methyl-amide Hydrochloride . | GLAXOSMITHKLINE LLC | 2004-10-21 | — | — | US | disclosed |
| WO-2004087669-A1 | NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO. LTD. (JP) | 2004-10-14 | — | — | WO | disclosed |
| EP-0910415-B1 | FLUORO-LABELLED ANTHRACYCLINE AND ANTHRACYCLINONE DERIVATIVES | PHARMACIA ITALIA SPA (IT) | 2004-05-12 | — | — | EP | disclosed |
| US-6642240-B2 | Piperazine derivatives; antagonists of tachykinins, including substance P; 2-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)methyl amide for example | SMITHKLINE BEECHAM CORPORATION | 2003-11-04 | — | — | US | disclosed |
| US-20030092704-A1 | Novel arylglycinamide derivatives, method of producing said derivatives and pharmaceutical compositions containing these compounds | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-05-15 | — | — | US | disclosed |
| US-20030028021-A1 | Chemical compounds | GLAXO GROUP LIMITED (GB) | 2003-02-06 | — | — | US | disclosed |
| US-6498162-B1 | TREATING INFLAMMATORY AND ALLERGIC DISEASES OF RESPIRATORY TRACT AND DISEASES OF CENTRAL NERVOUS SYSTEM | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-12-24 | — | — | US | disclosed |
| EP-0885204-B1 | NOVEL ARYL GLYCINAMIDE DERIVATIVES, METHOD OF PRODUCING SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2002-06-12 | — | — | EP | disclosed |
| US-6103700-A | FOR DIAGNOSING AMYLOIDOSIS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-08-15 | — | — | US | disclosed |
| EP-0885204-A1 | NOVEL ARYL GLYCINAMIDE DERIVATIVES, METHOD OF PRODUCING SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | Boehringer Ingelheim Pharma KG (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997032865-A1 | NOVEL ARYL GLYCINAMIDE DERIVATIVES, METHOD OF PRODUCING SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1997-09-12 | — | — | 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 (3 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-20030028021-A1 | Chemical compounds | TACR1, TACR2, TAC3 | TACR1 1/4885S1PR1 391/4885IDO1 1676/4885 |
| US-20030092704-A1 | Novel arylglycinamide derivatives, method of producing said derivatives and pharmaceutical compositions containing these compounds | GCGR, NGLY1, CCKAR | TACR1 47/4885S1PR1 1190/4885IDO1 1172/4885 |
| US-20040209893-A1 | treatment of a condition mediated by a tachykinin including substance P and other neurokinins by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic Acid (3,5-bistrifuoromethyl-benzyl)-methyl-amide Hydrochloride . | TACR1, TACR2, NPSR1 | TACR1 1/4885S1PR1 164/4885IDO1 1924/4885 |
“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.