Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.35 |
| ▸ | ITGAV | P06756 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7396296 | 1.00 | ALDH1A1 (0.39) | ALDH1A1PARP1PARP2DPP4SIGMAR1 | |
| SCHEMBL7396300 | 1.00 | ALDH1A1 (0.39) | ALDH1A1PARP1PARP2DPP4SIGMAR1 | |
| SCHEMBL7400530 | 0.84 | ATM (0.41) | SIGMAR1MEN1KMT2A | |
| SCHEMBL7400528 | 0.84 | ATM (0.41) | SIGMAR1MEN1KMT2A | |
| SCHEMBL7400527 | 0.84 | ATM (0.41) | SIGMAR1MEN1KMT2A | |
| SCHEMBL6942390 | 0.78 | CYP3A4 (0.46) | ALDH1A1SIGMAR1MEN1KMT2APOLB | |
| SCHEMBL6942391 | 0.78 | CYP3A4 (0.46) | ALDH1A1SIGMAR1MEN1KMT2APOLB | |
| SCHEMBL6942393 | 0.78 | CYP3A4 (0.46) | ALDH1A1SIGMAR1MEN1KMT2APOLB | |
| SCHEMBL7400574 | 0.73 | ITGB3 (0.46) | ALDH1A1ITGB3ITGA2BITGAVLMNA | |
| SCHEMBL6674870 | 0.71 | ITGB3 (0.62) | ITGB3ITGA2BITGAV |
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-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 |
| 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 |