Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8031389 | 1.00 | TAAR1 (0.48) | TAAR1SMN1; SMN2CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL6421394 | 1.00 | TAAR1 (0.48) | TAAR1SMN1; SMN2CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL22097765 | 0.84 | TDP1 (0.34) | TAAR1SMN1; SMN2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL493770 | 0.82 | SLC6A2 (0.35) | TAAR1SMN1; SMN2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22728188 | 0.82 | ATM (0.44) | TAAR1SMN1; SMN2CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL4259328 | 0.82 | SLC6A2 (0.35) | TAAR1SMN1; SMN2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9003499 | 0.82 | CYP2C19 (0.55) | TAAR1SMN1; SMN2CYP2C19HTR2ACYP2D6 | |
| SCHEMBL8329957 | 0.80 | SLC6A4 (0.44) | TAAR1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL8045114 | 0.80 | SLC6A4 (0.44) | TAAR1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL11775077 | 0.79 | CYP2C19 (0.46) | SMN1; SMN2CYP2C19CYP2D6ALDH1A1KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1077942-B1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMA INC (US) | 2005-01-12 | — | — | EP | disclosed |
| US-6316445-B1 | TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. | 2001-11-13 | — | — | US | disclosed |
| EP-1077942-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2001-02-28 | — | — | EP | disclosed |
| US-6136827-A | PIPERIDINE COMPOUNDS AS DRUGS | MERCK & CO., INC. (US) | 2000-10-24 | — | — | US | disclosed |
| EP-1003514-A1 | CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999059972-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-11-25 | — | — | WO | disclosed |
| US-5932571-A | Substituted N-methyl-N-(4-(4-(1H-benzimidazol-2-yl) {1,4}diazepan-1-yl)-2-(aryl) butyl) benzamides useful for the treatment of allergic diseases | HOECHST MARION ROUSSEL, INC. (US) | 1999-08-03 | — | — | US | disclosed |
| WO-1999004794-A1 | CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1999-02-04 | — | — | WO | disclosed |