Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 SCHEMBL7957925 | 0.98 | SIGMAR1 (0.40) | SIGMAR1MAPTNPSR1ALDH1A1LMNA | |
| SCHEMBL11858146 | 0.87 | ALDH1A1 (0.44) | SIGMAR1MAPTNPSR1ALDH1A1LMNA | |
| SCHEMBL22360609 | 0.86 | SIGMAR1 (0.43) | SIGMAR1KMT2AOPRD1OPRM1SLC6A2 | |
| SCHEMBL1418032 | 0.85 | NPSR1 (0.40) | SIGMAR1MAPTNPSR1ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7421187 | 0.85 | SIGMAR1 (0.44) | SIGMAR1MAPTNPSR1ALDH1A1LMNA | |
| SCHEMBL7306746 | 0.85 | MAPT (0.47) | SIGMAR1MAPTNPSR1ALDH1A1LMNA | |
| SCHEMBL27360346 | 0.85 | SIGMAR1 (0.38) | SIGMAR1MAPTNPSR1ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL27363845 | 0.83 | SIGMAR1 (0.37) | SIGMAR1MAPTNPSR1OPRD1OPRM1 | |
| SCHEMBL1408748 | 0.81 | ALDH1A1 (0.41) | SIGMAR1MAPTNPSR1ALDH1A1LMNA | |
| SCHEMBL27667325 | 0.81 | SIGMAR1 (0.44) | SIGMAR1OPRD1OPRM1SLC6A2SLC6A4 |
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 4 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 |
| WO-1999059972-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-11-25 | — | — | WO | disclosed |