Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 16/20 | 0.48 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610940 | 0.78 | CA1 (0.35) | — | |
| SCHEMBL5197638 | 0.78 | CA1 (0.47) | KDM1A | |
| SCHEMBL20288336 | 0.76 | KDM1A (0.53) | KDM1A | |
| SCHEMBL28470232 | 0.75 | TSHR (0.41) | KDM1AMAOATSHR | |
| SCHEMBL20288298 | 0.75 | KDM1A (0.57) | KDM1AMAOA | |
| SCHEMBL12413100 | 0.74 | MAPT (0.44) | — | |
| SCHEMBL25777046 | 0.74 | HDAC4 (0.40) | TSHRHTT | |
| SCHEMBL1130443 | 0.73 | DAO (0.46) | — | |
| SCHEMBL21471776 | 0.73 | KDM1A (0.65) | KDM1AMAPK3MAPK1MAOATSHR | |
| SCHEMBL1842841 | 0.72 | DGAT1 (0.36) | MAPK1 |
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-108203433-B | ROCK inhibitor and application thereof | 成都先导药物开发股份有限公司 | 2020-07-03 | — | — | CN | disclosed |
| WO-2018108156-A1 | ROCK INHIBITOR AND APPLICATION THEREOF | 成都先导药物开发有限公司 | 2018-06-21 | — | — | WO | disclosed |