Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.51 |
| ▸ | TAS2R31 | P59538 | 1/20 | 0.51 |
| ▸ | PTGES | O14684 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8570704 | 0.90 | HDAC6 (0.58) | HDAC6CYP1B1CYP1A2CYP1A1OPRD1 | |
| SCHEMBL8431133 | 0.89 | HDAC6 (0.53) | HDAC6CYP1B1CYP1A2CYP1A1OPRD1 | |
| SCHEMBL8429610 | 0.87 | DYRK1A (0.48) | CYP1B1CYP1A2KDM4EALDH1A1POLB | |
| SCHEMBL8431822 | 0.87 | ALDH1A1 (0.50) | HDAC6CYP1B1CYP1A2CYP1A1OPRD1 | |
| SCHEMBL10473384 | 0.84 | CYP1B1 (0.72) | HDAC6CYP1B1CYP1A2CYP1A1KDM4E | |
| SCHEMBL10472448 | 0.84 | CYP1A2 (0.63) | HDAC6CYP1B1CYP1A2CYP1A1KDM4E | |
| SCHEMBL8304917 | 0.84 | CYP1A1 (0.67) | HDAC6CYP1B1CYP1A2CYP1A1OPRD1 | |
| SCHEMBL8427187 | 0.82 | KDM4E (0.74) | HDAC6CYP1B1CYP1A2CYP1A1OPRD1 | |
| SCHEMBL4393314 | 0.82 | CYP1B1 (0.67) | HDAC6CYP1B1CYP1A2CYP1A1KDM4E | |
| SCHEMBL8429540 | 0.81 | EGFR (0.59) | CYP1B1CYP1A2KDM4EALDH1A1POLB |
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-5792789-A | TREATING HYPERPERMEABILITY AND INFLAMMATION | ADIR ET COMPAGNIE (FR) | 1998-08-11 | — | — | US | disclosed |