Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | PNMT | P11086 | 3/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.40 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.40 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086028 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KDM4ELMNAUSP2SMN1; SMN2 | |
| SCHEMBL19086034 | 0.77 | PNMT (0.40) | PNMTITGB3ITGA2BTPSAB1TPSD1 | |
| SCHEMBL19086228 | 0.75 | HDAC6 (0.46) | ALDH1A1KDM4ELMNA | |
| SCHEMBL28533972 | 0.73 | PNMT (0.70) | ALDH1A1KDM4EPNMTITGB3ITGA2B | |
| SCHEMBL16794298 | 0.73 | BTK (0.63) | PNMTITGB3ITGA2B | |
| SCHEMBL28443958 | 0.72 | CHRM4 (0.42) | ALDH1A1KDM4ELMNAUSP2RAB9A | |
| SCHEMBL19086177 | 0.68 | PNMT (0.58) | ALDH1A1KDM4EPNMTITGB3ITGA2B | |
| SCHEMBL977061 | 0.68 | PNMT (0.70) | ALDH1A1KDM4EPNMTITGB3ITGA2B | |
| Trifluoroacetic Acid SCHEMBL8835795 | 0.67 | ITGB3 (0.54) | ALDH1A1KDM4EPNMTITGB3ITGA2B | |
| SCHEMBL1174225 | 0.67 | PNMT (0.65) | ALDH1A1KDM4EPNMTITGB3ITGA2B |
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-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 |