Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 4/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.51 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.46 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.46 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30916151 | 0.88 | ALDH1A1 (0.61) | PNMTALDH1A1POLBPKMITGB3 | |
| SCHEMBL977061 | 0.82 | PNMT (0.70) | PNMTALDH1A1ITGB3ITGA2BTPSAB1 | |
| SCHEMBL977949 | 0.81 | PNMT (0.73) | PNMTALDH1A1ITGB3ITGA2BTPSAB1 | |
| Hydrochloric Acid SCHEMBL6421343 | 0.81 | PNMT (0.68) | PNMTALDH1A1ITGB3ITGA2BTPSAB1 | |
| Hydrochloric Acid SCHEMBL3441470 | 0.80 | PNMT (0.71) | PNMTALDH1A1ITGB3ITGA2BTPSAB1 | |
| SCHEMBL6421837 | 0.80 | PNMT (1.00) | PNMTALDH1A1ITGB3ITGA2BTPSAB1 | |
| SCHEMBL19086177 | 0.79 | PNMT (0.58) | PNMTALDH1A1ITGB3ITGA2BTPSAB1 | |
| SCHEMBL6425786 | 0.79 | PNMT (0.70) | PNMTALDH1A1POLBPKMITGB3 | |
| SCHEMBL14917694 | 0.78 | ALDH1A1 (0.97) | ALDH1A1POLBPKMNPC1RAB9A | |
| SCHEMBL13822830 | 0.77 | PNMT (0.59) | PNMTALDH1A1ITGB3ITGA2BTPSAB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111936475-B | Immunomodulator, composition and preparation method thereof | 贝达药业股份有限公司 | 2024-05-10 | — | — | CN | claimed |
| CN-111936475-B | Immunomodulator, composition and preparation method thereof | 贝达药业股份有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-108239082-B | Compound for inhibiting ROCK and application thereof | 成都先导药物开发股份有限公司 | 2021-01-05 | — | — | CN | disclosed |