Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23886378 | 0.81 | IDO1 (0.52) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL23283602 | 0.79 | ALDH1A1 (0.52) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL4615134 | 0.78 | IDO1 (0.57) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL878976 | 0.75 | IDO1 (0.53) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL28805376 | 0.73 | IDO1 (0.52) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL9480536 | 0.73 | IDO1 (0.52) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL9638844 | 0.73 | IDO1 (0.57) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL29735141 | 0.73 | IDO1 (0.52) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL9480529 | 0.73 | IDO1 (0.52) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL28334930 | 0.73 | IDO1 (0.52) | IDO1TAAR1CHRM2CHRM1ALDH1A1 |
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-117069720-A | 5-HT 2A Receptor agonist, preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-11-17 | — | — | CN | disclosed |