Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.47 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | TOP2A | P11388 | 1/20 | 0.41 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4673865 | 1.00 | CYP3A4 (0.58) | CYP3A4SCN5AKCNH2POLBCACNA1F | |
| SCHEMBL5232419 | 0.94 | CYP3A4 (0.51) | CYP3A4SCN5AKCNH2POLBCACNA1F | |
| SCHEMBL5231702 | 0.94 | CYP3A4 (0.51) | CYP3A4SCN5AKCNH2POLBCACNA1F | |
| Hydrochloric Acid SCHEMBL4677081 | 0.93 | CYP3A4 (0.59) | CYP3A4SCN5AKCNH2POLBCACNA1F | |
| SCHEMBL5232023 | 0.93 | CYP3A4 (0.50) | CYP3A4SCN5AKCNH2POLBCACNA1F | |
| SCHEMBL5232017 | 0.93 | CYP3A4 (0.50) | CYP3A4SCN5AKCNH2POLBCACNA1F | |
| SCHEMBL4671147 | 0.91 | CYP3A4 (0.57) | CYP3A4SCN5AKCNH2POLBCACNA1F | |
| SCHEMBL7076945 | 0.91 | CYP3A4 (0.57) | CYP3A4SCN5AKCNH2POLBCACNA1F | |
| Hydrochloric Acid SCHEMBL4671767 | 0.89 | CYP3A4 (0.46) | CYP3A4SCN5AKCNH2POLBCACNA1F | |
| Hydrochloric Acid SCHEMBL4671759 | 0.89 | CYP3A4 (0.46) | CYP3A4SCN5AKCNH2POLBCACNA1F |
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-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 |