Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | GLS | O94925 | 1/20 | 0.41 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23980348 | 0.85 | MMP12 (0.54) | TAAR1GLSGPR52HPGDKDM4E | |
| SCHEMBL31643367 | 0.83 | HPGD (0.54) | HPGDKDM4ETDP1ALDH1A1 | |
| SCHEMBL15319304 | 0.80 | HPGD (0.45) | TAAR1GLSHPGDKDM4EKMT2A | |
| SCHEMBL4867754 | 0.77 | CES1 (0.61) | HPGDCES1MMP12MMP13KMT2A | |
| SCHEMBL2962744 | 0.77 | TAAR1 (0.50) | TAAR1GPR52KDM4EKMT2AALDH1A1 | |
| SCHEMBL310967 | 0.72 | CA12 (0.45) | TAAR1GLSGPR52KMT2AALDH1A1 | |
| SCHEMBL31291159 | 0.72 | CA12 (0.45) | TAAR1GLSGPR52KMT2AALDH1A1 | |
| SCHEMBL1648557 | 0.72 | TAAR1 (0.58) | TAAR1GPR52 | |
| SCHEMBL15320422 | 0.69 | RIPK1 (0.43) | TAAR1GPR52HPGDKDM4EKMT2A | |
| SCHEMBL16669737 | 0.69 | TAAR1 (0.54) | TAAR1GPR52KDM4EKMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |