Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | CTRC | Q99895 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.37 |
| ▸ | CDC42 | P60953 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.37 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | TYMP | P19971 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PNP | P00491 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6821801 | 0.87 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6821797 | 0.84 | MAPT (0.47) | SMN1; SMN2EGFRPNPMEN1KMT2A | |
| SCHEMBL6821810 | 0.81 | DAO (0.41) | PARP1 | |
| SCHEMBL6818415 | 0.80 | DAO (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL6822381 | 0.76 | EGFR (0.49) | EGFRPNP | |
| SCHEMBL15285375 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL9356508 | 0.75 | ROCK2 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28228782 | 0.74 | MAPT (0.40) | PARP1 | |
| SCHEMBL4427278 | 0.74 | PDE3B (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30403502 | 0.73 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004046122-A2 | BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS | OXFORD GLYCOSCIENCES (UK) LTD (GB) | 2004-06-03 | — | — | WO | disclosed |