Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.58 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 8/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.45 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13822830 | 0.87 | PNMT (0.59) | PNMTITGB3ITGA2BMAPTNPC1 | |
| SCHEMBL8555210 | 0.83 | ITGB3 (0.73) | PNMTITGB3ITGA2BMAPTNPC1 | |
| SCHEMBL978035 | 0.83 | PNMT (0.56) | PNMTITGB3ITGA2BMAPTRAB9A | |
| SCHEMBL28533972 | 0.79 | PNMT (0.70) | PNMTITGB3ITGA2BMAPTNPC1 | |
| SCHEMBL977949 | 0.78 | PNMT (0.73) | PNMTITGB3ITGA2BALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL3441470 | 0.77 | PNMT (0.71) | PNMTITGB3ITGA2BALDH1A1LMNA | |
| SCHEMBL6421837 | 0.74 | PNMT (1.00) | PNMTITGB3ITGA2BALDH1A1TPSAB1 | |
| SCHEMBL19086350 | 0.73 | MAPT (0.48) | MAPTNPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL977061 | 0.73 | PNMT (0.70) | PNMTITGB3ITGA2BMAPTNPC1 | |
| SCHEMBL14863153 | 0.73 | PLAU (0.61) | ITGB3ITGA2BNPC1RAB9ASMN1; SMN2 |
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-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 |
| WO-2017114275-A1 | COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME | 成都先导药物开发有限公司 | 2017-07-06 | — | — | WO | disclosed |