Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 11/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL30804579 | 0.81 | TRPA1 (0.59) | NOS3NOS1NOS2TRPA1CYP2A6 | |
| SCHEMBL1119424 | 0.81 | TRPA1 (0.59) | NOS3NOS1NOS2TRPA1CYP2A6 | |
| SCHEMBL30804590 | 0.79 | TRPA1 (0.57) | NOS3NOS1NOS2TRPA1CYP2A6 | |
| Hydrochloric Acid SCHEMBL8588830 | 0.79 | TRPA1 (0.57) | TRPA1CYP2A6NPC1RAB9ACYP1A2 | |
| Hydrochloric Acid SCHEMBL8588251 | 0.79 | TRPA1 (0.57) | TRPA1CYP2A6NPC1RAB9ACYP1A2 | |
| SCHEMBL31145655 | 0.77 | TRPA1 (0.70) | NOS3NOS1NOS2TRPA1NPC1 | |
| Formic Acid SCHEMBL28613405 | 0.73 | TRPA1 (0.50) | TRPA1CYP2A6CYP1A2 | |
| SCHEMBL29910169 | 0.71 | TRPA1 (0.47) | TRPA1 | |
| SCHEMBL56649 | 0.70 | NOS3 (0.52) | NOS3NOS1NOS2TRPA1CYP2A6 | |
| SCHEMBL688175 | 0.69 | NOS3 (0.56) | NOS3NOS1NOS2TRPA1CYP2A6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0593603-B1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2002-11-20 | — | — | EP | disclosed |
| US-6127359-A | Bicyclic fibrinogen antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2000-10-03 | — | — | US | disclosed |
| US-5939412-A | Bicyclic fibrinogen antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 1999-08-17 | — | — | US | disclosed |
| US-5693636-A | Bicyclic fibrinogen antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 1997-12-02 | — | — | US | disclosed |
| EP-0593603-A1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-04-27 | — | — | EP | disclosed |
| WO-1993000095-A2 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-01-07 | — | — | WO | disclosed |