Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | G6PD | P11413 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CCR6 | P51684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8149293 | 1.00 | CYP2A6 (0.46) | CYP2A6HSD17B10CYP3A4ALDH1A1HPGD | |
| SCHEMBL811099 | 0.84 | CYP2A6 (0.56) | CYP2A6CYP3A4ALDH1A1CYP1A2POLB | |
| SCHEMBL6356268 | 0.84 | CYP2A6 (0.56) | CYP2A6HSD17B10CYP3A4ALDH1A1HPGD | |
| SCHEMBL6282738 | 0.79 | KDM4E (0.55) | HSD17B10CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL13255969 | 0.79 | KDM4E (0.55) | HSD17B10CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL29771833 | 0.78 | ESR2 (0.52) | HSD17B10CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL11753298 | 0.78 | CYP1A2 (0.59) | CYP2A6HSD17B10CYP3A4ALDH1A1HPGD | |
| SCHEMBL8340170 | 0.78 | CYP1A2 (0.59) | CYP2A6HSD17B10CYP3A4ALDH1A1HPGD | |
| SCHEMBL297445 | 0.78 | ESR2 (0.52) | HSD17B10CYP3A4ALDH1A1HPGDALOX15 | |
| SCHEMBL15920615 | 0.78 | ESR2 (0.52) | HSD17B10CYP3A4ALDH1A1HPGDALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |