Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.40 |
| ▸ | SELE | P16581 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 2/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23501202 | 0.85 | ROCK2 (0.52) | ICAM1SELEROCK2VCAM1 | |
| SCHEMBL30744167 | 0.85 | ROCK2 (0.52) | ICAM1SELEROCK2VCAM1 | |
| SCHEMBL23501200 | 0.85 | ROCK2 (0.52) | ICAM1SELEROCK2VCAM1 | |
| SCHEMBL28408118 | 0.82 | ICAM1 (0.40) | ICAM1SELEROCK2MAPK1VCAM1 | |
| SCHEMBL30744171 | 0.81 | ROCK2 (0.45) | RAB9AICAM1SELEROCK2MAPK1 | |
| SCHEMBL23501425 | 0.78 | ROCK2 (0.36) | RAB9AICAM1SELEROCK2VCAM1 | |
| SCHEMBL23501422 | 0.78 | ROCK2 (0.36) | RAB9AICAM1SELEROCK2VCAM1 | |
| SCHEMBL30744166 | 0.78 | ROCK2 (0.36) | RAB9AICAM1SELEROCK2VCAM1 | |
| SCHEMBL23927687 | 0.77 | ROCK2 (0.35) | ICAM1SELEROCK2VCAM1 | |
| SCHEMBL23927681 | 0.77 | ROCK2 (0.35) | ICAM1SELEROCK2VCAM1 |
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-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 |