Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NCK1 | P16333 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8149748 | 1.00 | CYP2A6 (0.54) | CYP2A6CYP1A2PTPN1TDP1ALDH1A1 | |
| SCHEMBL8149747 | 0.84 | CYP1A2 (0.68) | CYP2A6CYP1A2PTPN1TDP1ALDH1A1 | |
| SCHEMBL8153333 | 0.84 | CYP1A2 (0.68) | CYP2A6CYP1A2PTPN1TDP1ALDH1A1 | |
| SCHEMBL10680003 | 0.78 | CYP1A2 (0.59) | CYP2A6CYP1A2PTPN1TDP1ALDH1A1 | |
| SCHEMBL21507506 | 0.78 | CYP1A2 (0.59) | CYP2A6CYP1A2PTPN1TDP1ALDH1A1 | |
| SCHEMBL12227986 | 0.78 | CYP1A2 (0.59) | CYP2A6CYP1A2PTPN1TDP1ALDH1A1 | |
| SCHEMBL15552163 | 0.75 | ESR1 (0.48) | CYP1A2TDP1HSD17B10 | |
| SCHEMBL8155016 | 0.75 | CYP2A6 (0.54) | CYP2A6CYP1A2PTPN1TDP1ALDH1A1 | |
| SCHEMBL8148720 | 0.75 | CYP2A6 (0.54) | CYP2A6CYP1A2PTPN1TDP1ALDH1A1 | |
| SCHEMBL80216 | 0.75 | — | — |
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 |