Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | LAP3 | P28838 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9621395 | 0.81 | TRPA1 (0.44) | TRPA1TAAR1SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL23146087 | 0.77 | SRR (0.57) | — | |
| SCHEMBL23146085 | 0.77 | SRR (0.57) | — | |
| SCHEMBL15529933 | 0.77 | TRPA1 (0.45) | TRPA1TAAR1SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL15366426 | 0.77 | TRPA1 (0.45) | TRPA1TAAR1SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL9621418 | 0.75 | TRPA1 (0.40) | TRPA1TAAR1SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL3495199 | 0.75 | TRPA1 (0.50) | TRPA1TAAR1SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL1279581 | 0.74 | LAP3 (0.50) | TRPA1TAAR1SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL7268862 | 0.74 | LAP3 (0.50) | TRPA1TAAR1SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL11491833 | 0.73 | CYP1A2 (0.48) | TRPA1TAAR1SIGMAR1SLC6A2SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1061921-A4 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2005-03-30 | — | — | EP | disclosed |
| EP-1061921-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999045927-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-09-16 | — | — | WO | disclosed |