Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 5/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.31 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.31 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.30 |
| ▸ | CDK9 | P50750 | 1/20 | 0.30 |
| ▸ | MELK | Q14680 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086033 | 0.77 | ALDH1A1 (0.51) | PNMTITGB3ITGA2BTPSAB1TPSD1 | |
| SCHEMBL20778382 | 0.66 | PNMT (0.61) | PNMTITGB3ITGA2BPARP1PARP2 | |
| SCHEMBL21236155 | 0.62 | PNMT (0.63) | PNMTPARP1PARP2TPSAB1TPSD1 | |
| SCHEMBL30199323 | 0.61 | CD274 (0.51) | PNMTMELK | |
| SCHEMBL29097942 | 0.61 | CD274 (0.51) | PNMTMELK | |
| SCHEMBL6424327 | 0.61 | PNMT (1.00) | PNMTTPSAB1TPSD1TPSG1 | |
| SCHEMBL14035157 | 0.59 | SLC6A4 (0.59) | — | |
| SCHEMBL698730 | 0.58 | SHBG (0.41) | — | |
| SCHEMBL12538638 | 0.58 | PNMT (0.49) | PNMTITGB3ITGA2B | |
| SCHEMBL17545266 | 0.58 | PNMT (0.61) | PNMTITGB3ITGA2BPARP1PARP2 |
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 |