Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23218649 | 1.00 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2167305 | 0.89 | NLRP3 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29122436 | 0.85 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29122418 | 0.83 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23425650 | 0.83 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23218385 | 0.82 | CA1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31514215 | 0.81 | NLRP3 (0.54) | NLRP3L3MBTL1KDM4ELMNAALDH1A1 | |
| SCHEMBL12023029 | 0.81 | NLRP3 (0.50) | NLRP3GAAL3MBTL1KDM4ELMNA | |
| SCHEMBL30676465 | 0.80 | TSHR (0.47) | NLRP3GAAL3MBTL1KDM4ELMNA | |
| SCHEMBL29121944 | 0.80 | TSHR (0.47) | NLRP3GAAL3MBTL1KDM4ELMNA |
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-117120419-A | KLK5 bicyclic heteroaromatic inhibitors | 拜奥克里斯特制药公司 | 2023-11-24 | — | — | CN | disclosed |