Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6942390 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL6942391 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL7396296 | 0.78 | ALDH1A1 (0.39) | CYP3A4CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL7396292 | 0.78 | ALDH1A1 (0.39) | CYP3A4CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL7396300 | 0.78 | ALDH1A1 (0.39) | CYP3A4CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL7400528 | 0.75 | ATM (0.41) | MEN1KMT2ARAB9AHTR2ASIGMAR1 | |
| SCHEMBL7400527 | 0.75 | ATM (0.41) | MEN1KMT2ARAB9AHTR2ASIGMAR1 | |
| SCHEMBL7400530 | 0.75 | ATM (0.41) | MEN1KMT2ARAB9AHTR2ASIGMAR1 | |
| SCHEMBL6419432 | 0.73 | ITGB3 (0.55) | CYP3A4CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL6419435 | 0.73 | ITGB3 (0.55) | CYP3A4CYP2D6CYP2C9TSHRCYP2C19 |
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-0674623-B1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2003-04-09 | — | — | EP | disclosed |
| US-6403578-B1 | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS | SMITHKLINE BEECHAM CORPORATION | 2002-06-11 | — | — | US | disclosed |
| EP-0674623-A1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014776-A2 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-07-07 | — | — | WO | disclosed |