Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27787701 | 0.73 | SRD5A1 (0.50) | SRD5A1GSK3BALDH1A1HPGDKDM4C | |
| SCHEMBL28408578 | 0.72 | COMT (0.33) | GSK3BALDH1A1TSHRALOX15MAPT | |
| SCHEMBL20267338 | 0.70 | GSK3B (0.55) | SRD5A1GSK3BALDH1A1HPGDKDM4C | |
| SCHEMBL30999985 | 0.69 | GSK3B (0.81) | SRD5A1GSK3BALDH1A1HPGDKDM4C | |
| SCHEMBL7430397 | 0.67 | SRD5A1 (0.77) | SRD5A1GSK3BALDH1A1HPGDKDM4C | |
| SCHEMBL3905172 | 0.66 | ALDH1A1 (0.53) | SRD5A1ALDH1A1HPGDKDM4CTSHR | |
| SCHEMBL29542545 | 0.66 | ALDH1A1 (0.53) | SRD5A1ALDH1A1HPGDKDM4CTSHR | |
| SCHEMBL2123689 | 0.66 | ROCK1 (0.49) | SRD5A1GSK3BALDH1A1HPGDKDM4C | |
| SCHEMBL6820047 | 0.66 | SRD5A1 (1.00) | SRD5A1GSK3BALDH1A1HPGDKDM4C | |
| Aniline SCHEMBL27678301 | 0.66 | TSHR (0.34) | ALDH1A1TSHRKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112638425-A | PKC inhibitors for targeted treatment of septic cholestasis by CTM | 斯玛特迪利弗利有限责任公司 | 2021-04-09 | — | — | CN | claimed |
| CN-112638424-A | PKC inhibitors for targeted treatment of septic cholestasis with polymethine dyes | 斯玛特迪利弗利有限责任公司 | 2021-04-09 | — | — | CN | claimed |