Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | PIM1 | P11309 | 3/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | TOP1 | P11387 | 1/20 | 0.33 |
| ▸ | TOP2A | P11388 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7006968 | 0.92 | CYP3A4 (0.50) | CYP3A4CYP2C9PIM1ADRB2TOP1 | |
| Monoethanolamine SCHEMBL7007259 | 0.85 | CYP2C9 (0.52) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| Monoethanolamine SCHEMBL7006967 | 0.77 | CYP2C9 (0.60) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| SCHEMBL7009599 | 0.77 | PIM1 (0.40) | CYP3A4CYP2C9PIM1ADRB2TOP1 | |
| SCHEMBL7013484 | 0.75 | CYP2C9 (0.57) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| SCHEMBL7006829 | 0.74 | CYP3A4 (0.60) | CYP3A4CYP2C9PIM1ADRB2TOP1 | |
| SCHEMBL7004218 | 0.73 | CYP2C9 (0.58) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| SCHEMBL2922188 | 0.71 | CYP2C9 (0.60) | CYP3A4CYP2C9PIM1TOP1TOP2A | |
| SCHEMBL15807617 | 0.71 | CYP3A4 (0.46) | CYP3A4CYP2C9PIM1ADRB2STAT3 | |
| SCHEMBL7005270 | 0.71 | CYP2C9 (0.60) | 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 |