Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | NQO1 | P15559 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | VKORC1 | Q9BQB6 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5112817 | 0.95 | NQO1 (0.52) | ADORA3NQO1ALDH1A1VKORC1MEN1 | |
| SCHEMBL5106631 | 0.93 | NQO1 (0.54) | ADORA3NQO1ALDH1A1VKORC1MEN1 | |
| SCHEMBL1649931 | 0.91 | ADORA3 (0.59) | ADORA3NQO1ALDH1A1VKORC1MEN1 | |
| SCHEMBL6825211 | 0.88 | ADORA3 (0.56) | ADORA3NQO1ALDH1A1VKORC1MEN1 | |
| SCHEMBL6825774 | 0.88 | ADORA3 (0.49) | ADORA3NQO1ALDH1A1VKORC1MEN1 | |
| SCHEMBL5106585 | 0.86 | NQO1 (0.50) | ADORA3NQO1ALDH1A1VKORC1MEN1 | |
| SCHEMBL5113026 | 0.84 | NQO1 (0.52) | ADORA3NQO1ALDH1A1VKORC1MEN1 | |
| SCHEMBL5113813 | 0.82 | NQO1 (0.57) | ADORA3NQO1ALDH1A1VKORC1MEN1 | |
| SCHEMBL5103349 | 0.81 | ADORA3 (0.62) | ADORA3NQO1ALDH1A1VKORC1MEN1 | |
| SCHEMBL6822455 | 0.79 | NQO1 (0.54) | ADORA3NQO1ALDH1A1VKORC1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1383756-A1 | COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS | Arxy Therapeutics (US) | 2004-01-28 | — | — | EP | disclosed |
| WO-2002085882-A1 | COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS | ARXY THERAPEUTICS (US) | 2002-10-31 | — | — | WO | disclosed |