Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 6/20 | 0.43 |
| ▸ | CA4 | P22748 | 6/20 | 0.43 |
| ▸ | CA9 | Q16790 | 6/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ATF4 | P18848 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL28397565 | 0.86 | GSTP1 (0.45) | GSTP1CA12CA4CA9CA1 | |
| SCHEMBL3626897 | 0.83 | GSTP1 (0.49) | GSTP1CA12CA4CA9CA1 | |
| SCHEMBL18761828 | 0.83 | GSTP1 (0.49) | GSTP1CA12CA4CA9CA1 | |
| SCHEMBL21718941 | 0.79 | KDM4E (0.49) | GSTP1CA12CA4CA9CA1 | |
| SCHEMBL95960 | 0.76 | GPR84 (0.50) | GPR84HRH3ATF4KDM4EPPARG | |
| SCHEMBL25532337 | 0.76 | CYP11B1 (0.45) | GSTP1CA12CA4CA9CA1 | |
| SCHEMBL4741234 | 0.76 | GSTP1 (0.36) | GSTP1CA12CA4CA9CA1 | |
| SCHEMBL2094457 | 0.76 | ATF4 (0.48) | GPR84MAOBMAOAHRH3ATF4 | |
| SCHEMBL2010983 | 0.76 | NQO1 (0.50) | GPR84HRH3ATF4KDM4EALDH1A1 | |
| SCHEMBL2094456 | 0.76 | GPR84 (0.46) | GPR84MAOBMAOAHRH3ATF4 |
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-107344940-B | BTK inhibitors and uses thereof | 广东东阳光药业有限公司 | 2020-04-21 | — | — | CN | disclosed |