Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 11/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 11/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13848711 | 0.79 | ALDH1A1 (0.44) | CA12CA1CA3CA4CA6 | |
| SCHEMBL3212449 | 0.74 | PDE3B (0.42) | CA12CA1CA3CA4CA6 | |
| SCHEMBL10285341 | 0.74 | CA12 (0.48) | CA12CA1CA3CA4CA6 | |
| SCHEMBL332886 | 0.72 | TDP1 (0.50) | CA12CA1CA3CA4CA6 | |
| SCHEMBL709815 | 0.72 | PDE3B (0.52) | CA12CA1CA3CA4CA6 | |
| SCHEMBL3874061 | 0.72 | KDM4E (0.60) | CA12CA1CA3CA4CA6 | |
| SCHEMBL4572244 | 0.72 | AHR (0.50) | CA1CA4CA6MAPK1 | |
| SCHEMBL433885 | 0.72 | TNKS2 (0.62) | CA12CA1CA3CA4CA6 | |
| SCHEMBL1082903 | 0.72 | DAO (0.53) | CA12CA1CA3CA4CA6 | |
| SCHEMBL30946262 | 0.72 | CA12 (0.47) | CA12CA1CA3CA4CA6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2468743-A1 | Nitrogen-containing bicyclic compounds useful as antibacterial agents | Toyama Chemical Co., Ltd. (JP) | 2012-06-27 | — | — | EP | disclosed |