Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 4/20 | 0.48 |
| ▸ | BCHE | P06276 | 3/20 | 0.48 |
| ▸ | BACE1 | P56817 | 3/20 | 0.48 |
| ▸ | CCR3 | P51677 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4049427 | 0.94 | ACHE (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL2267300 | 0.94 | ACHE (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL25871654 | 0.82 | CYP3A4 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8570353 | 0.81 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL16054301 | 0.81 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL20895733 | 0.81 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL19195295 | 0.79 | ACHE (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL23647534 | 0.78 | CYP3A4 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL27972174 | 0.76 | TSHR (0.49) | CYP2D6ALDH1A1ACHEBCHEBACE1 | |
| SCHEMBL8603143 | 0.75 | BCHE (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1304329-B1 | Pyridonecarboxylic acid derivatives and their use as antibacterial agents | DAIICHI SANKYO CO LTD (JP) | 2008-10-15 | — | — | EP | disclosed |
| EP-1304329-A2 | Pyridonecarboxylic acid derivatives and their use as antibacterial agents | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-04-23 | — | — | EP | disclosed |
| US-5849757-A | Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1998-12-15 | — | — | US | disclosed |
| EP-0807630-A1 | HETEROCYCLIC COMPOUNDS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1997-11-19 | — | — | EP | disclosed |