Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9939224 | 0.83 | — | — | |
| SCHEMBL6772300 | 0.83 | — | — | |
| SCHEMBL14718463 | 0.80 | ALOX5 (0.32) | — | |
| SCHEMBL5733210 | 0.80 | KDR (0.30) | — | |
| SCHEMBL3208582 | 0.78 | GABRP (0.40) | CYP3A4 | |
| SCHEMBL1180513 | 0.77 | — | — | |
| SCHEMBL5733976 | 0.75 | LMNA (0.34) | CYP2C9CYP2C19 | |
| SCHEMBL5733664 | 0.74 | KDR (0.31) | — | |
| SCHEMBL5733424 | 0.73 | HCAR2 (0.32) | — | |
| SCHEMBL1456734 | 0.73 | MAPT (0.38) | CYP2A6CYP2C19 |
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-1070713-B1 | QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO LTD (JP) | 2006-10-18 | — | — | EP | disclosed |
| US-6335447-B1 | BACTERICIDES | TOYAMA CHEMICAL CO., LTD. (JP) | 2002-01-01 | — | — | US | disclosed |
| EP-1070713-A1 | QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2001-01-24 | — | — | EP | disclosed |