Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8851026 | 0.77 | METAP2 (0.36) | ALDH1A1MEN1KMT2ANPSR1ATM | |
| SCHEMBL5337557 | 0.74 | — | — | |
| SCHEMBL4178195 | 0.73 | GAA (0.33) | — | |
| SCHEMBL4592 | 0.70 | ATM (0.47) | ALDH1A1CYP3A4ATMEPHX1EPHX2 | |
| SCHEMBL16186417 | 0.69 | APLNR (0.37) | ALDH1A1ATMEPHX2 | |
| SCHEMBL7380522 | 0.68 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL919280 | 0.68 | SMN1; SMN2 (0.47) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL157945 | 0.68 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL157944 | 0.68 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL147119 | 0.68 | SMN1; SMN2 (0.47) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5391556-A | Thrombin inhibitors | KARL THOMAE GMBH (DE) | 1995-02-21 | — | — | US | disclosed |