Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 12/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL557663 | 0.80 | KDM4E (0.41) | CYP3A4ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL6988367 | 0.78 | ATM (0.31) | — | |
| SCHEMBL7356788 | 0.76 | CYP2A6 (0.50) | CYP11B1CYP11B2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL4045129 | 0.73 | GPR55 (0.43) | CYP11B1CYP11B2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL27674566 | 0.70 | CYP11B1 (0.49) | CYP11B1CYP11B2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL13102550 | 0.70 | CYP11B1 (0.49) | CYP11B1CYP11B2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL7585127 | 0.69 | CYP2A6 (0.52) | CYP11B1CYP11B2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL1116552 | 0.68 | CYP11B1 (0.54) | CYP11B1CYP11B2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL29419014 | 0.67 | CYP2A6 (1.00) | CYP11B1CYP11B2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL30473120 | 0.67 | CYP2A6 (1.00) | CYP11B1CYP11B2CYP2A6CYP3A4ALDH1A1 |
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-1337251-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002102380-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-12-27 | — | — | WO | disclosed |