Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TOP1 | P11387 | 8/20 | 0.42 |
| ▸ | TOP2A | P11388 | 8/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7007976 | 0.89 | CYP3A4 (0.46) | CYP3A4CYP2C9TOP1TOP2APIM1 | |
| SCHEMBL7006508 | 0.82 | TOP1 (0.54) | CYP3A4CYP2C9TOP1TOP2APIM1 | |
| SCHEMBL7009300 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP2C9TOP1TOP2APIM1 | |
| SCHEMBL7010755 | 0.82 | PIM1 (0.46) | CYP3A4CYP2C9TOP1TOP2APIM1 | |
| SCHEMBL7006319 | 0.80 | TOP1 (0.47) | CYP3A4CYP2C9TOP1TOP2APIM1 | |
| SCHEMBL7005992 | 0.79 | CYP3A4 (0.58) | CYP3A4CYP2C9TOP1TOP2AALDH1A1 | |
| SCHEMBL7009334 | 0.79 | PIM1 (0.48) | CYP3A4CYP2C9TOP1TOP2APIM1 | |
| SCHEMBL7009088 | 0.79 | PIM1 (0.52) | CYP3A4CYP2C9TOP1TOP2APIM1 | |
| SCHEMBL7006855 | 0.78 | CYP3A4 (0.59) | CYP3A4CYP2C9TOP1TOP2AALDH1A1 | |
| SCHEMBL6578587 | 0.78 | TOP1 (0.54) | CYP3A4CYP2C9TOP1TOP2APIM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0945435-B1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | WAKUNAGA PHARMA CO LTD (JP) | 2003-08-13 | — | — | EP | disclosed |
| US-6136823-A | BACTERICIDES OR VIRICIDES | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-0945435-A1 | NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |