Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | PREP | P48147 | 1/20 | 0.35 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23501346 | 0.88 | KMT2A (0.40) | MAPK1KMT2AMEN1NPC1MAPT | |
| SCHEMBL3907320 | 0.83 | PRKCA (0.42) | PRKCAPRKCDPREPBTN3A1ALDH1A1 | |
| SCHEMBL20773790 | 0.82 | MAPK1 (0.57) | MAPK1RAB9ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23501385 | 0.80 | MAPK1 (0.43) | MAPK1RAB9ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23501475 | 0.79 | ESR1 (0.41) | MAPK1RAB9ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3907331 | 0.79 | PRKCA (0.40) | PRKCAPRKCDMAPTBTN3A1 | |
| SCHEMBL8569288 | 0.77 | MAPK1 (0.45) | MAPK1RAB9ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27086914 | 0.76 | KMT2A (0.40) | MAPK1KMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL27086909 | 0.76 | KMT2A (0.40) | MAPK1KMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL13899543 | 0.74 | ATM (0.46) | PRKCAPRKCDMAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112979675-B | Small molecular sulfur-containing heterocyclic compound | 维眸生物科技（上海）有限公司 | 2023-12-19 | — | — | CN | disclosed |
| EP-3901156-A1 | NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR | Vivavision (Shanghai) Ltd (CN) | 2021-10-27 | — | — | EP | disclosed |
| CN-111217834-B | Nitroxide derivatives of ROCK kinase inhibitors | 维眸生物科技（上海）有限公司 | 2021-10-26 | — | — | CN | disclosed |
| CN-112979675-A | Small-molecule sulfur-containing heterocyclic compound | 维眸生物科技（上海）有限公司 | 2021-06-18 | — | — | CN | disclosed |
| WO-2021115495-A1 | SMALL-MOLECULE SULFUR-CONTAINING HETEROCYCLIC COMPOUND | 维眸生物科技（上海）有限公司 | 2021-06-17 | — | — | WO | disclosed |
| WO-2021115495-A1 | SMALL-MOLECULE SULFUR-CONTAINING HETEROCYCLIC COMPOUND | 维眸生物科技（上海）有限公司 | 2021-06-17 | — | — | WO | disclosed |
| CN-111217834-A | Nitroxide derivatives of ROCK kinase inhibitors | 维眸生物科技（上海）有限公司 | 2020-06-02 | — | — | CN | disclosed |