Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | DBH | P09172 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28657167 | 1.00 | CA9 (0.39) | CA9CA14CA12CA1CA2 | |
| SCHEMBL9175291 | 0.82 | CES2 (0.45) | HPGDRECQLCES2CES1HTT | |
| SCHEMBL9422687 | 0.76 | GABRA1 (0.50) | CA9CA14CA12CA1CA2 | |
| SCHEMBL29037580 | 0.75 | AGBL2 (0.33) | — | |
| SCHEMBL29037582 | 0.75 | AGBL2 (0.33) | — | |
| SCHEMBL22772337 | 0.74 | SHBG (0.44) | CA9CA14CA12CA1CA2 | |
| SCHEMBL28649908 | 0.74 | ALDH1A1 (0.41) | ALDH1A1HTT | |
| SCHEMBL9090928 | 0.74 | ALDH1A1 (0.41) | ALDH1A1HTT | |
| SCHEMBL27520331 | 0.74 | PTGS1 (0.42) | CA9CA14CA1CA2ALDH1A1 | |
| SCHEMBL23037435 | 0.74 | TACR1 (0.31) | KDM4EHPGDPSEN1PSEN2APH1B |
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 |
|---|---|---|---|---|---|---|---|
| CN-110386945-B | Macrocyclic kinase inhibitor | 广州白云山医药集团股份有限公司白云山制药总厂 | 2021-09-28 | — | — | CN | disclosed |