Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | PIM1 | P11309 | 3/20 | 0.48 |
| ▸ | TOP1 | P11387 | 6/20 | 0.39 |
| ▸ | TOP2A | P11388 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7005411 | 0.87 | CYP3A4 (0.52) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| SCHEMBL7007305 | 0.85 | CYP2C9 (0.66) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| SCHEMBL7010927 | 0.85 | CYP3A4 (0.51) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| SCHEMBL7011977 | 0.82 | TOP1 (0.52) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| SCHEMBL7008844 | 0.82 | PIM1 (0.56) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| SCHEMBL7861248 | 0.82 | CYP3A4 (0.62) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| SCHEMBL7008199 | 0.80 | TOP1 (0.48) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| SCHEMBL7857518 | 0.80 | CYP3A4 (0.76) | CYP3A4CYP2C9TOP1TOP2AALDH1A1 | |
| SCHEMBL7006342 | 0.79 | PIM1 (0.52) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| SCHEMBL7010755 | 0.79 | PIM1 (0.46) | CYP3A4CYP2C9PIM1TOP1TOP2A |
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 |