Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | PNMT | P11086 | 2/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.49 |
| ▸ | 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 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28533972 | 0.88 | PNMT (0.70) | ALDH1A1POLBPKMPNMTITGB3 | |
| SCHEMBL2781654 | 0.88 | PNMT (0.53) | ALDH1A1POLBPKMPNMTITGB3 | |
| SCHEMBL1173814 | 0.82 | KDM4E (0.56) | ALDH1A1POLBPKMPNMTITGB3 | |
| SCHEMBL1173969 | 0.81 | ALDH1A1 (0.59) | ALDH1A1PNMTITGB3ITGA2BKDM4E | |
| Hydrochloric Acid SCHEMBL27077216 | 0.81 | KDM4E (0.55) | ALDH1A1POLBPKMPNMTITGB3 | |
| SCHEMBL30916113 | 0.80 | PNMT (0.77) | ALDH1A1PNMTITGB3ITGA2BGAA | |
| SCHEMBL14917694 | 0.78 | ALDH1A1 (0.97) | ALDH1A1POLBPKMNPC1RAB9A | |
| SCHEMBL21451781 | 0.76 | BTK (0.48) | ALDH1A1PNMTITGB3ITGA2BNPC1 | |
| SCHEMBL7796977 | 0.75 | ADORA1 (0.52) | ALDH1A1PNMTITGB3ITGA2BNPC1 | |
| SCHEMBL979096 | 0.75 | ALDH1A1 (0.46) | ALDH1A1POLBPNMTITGB3ITGA2B |
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-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 |