Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CCR4 | P51679 | 4/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28277650 | 1.00 | HCAR3 (0.43) | HCAR3ALDH1A1TP53HSP90AA1CYP3A4 | |
| SCHEMBL20956373 | 0.85 | CCR4 (0.36) | CCR4ESR1 | |
| SCHEMBL29607425 | 0.84 | CRHR1 (0.42) | HCAR3CCR4ESR1 | |
| SCHEMBL28937980 | 0.84 | CRHR1 (0.42) | HCAR3CCR4ESR1 | |
| SCHEMBL1774897 | 0.82 | GAA (0.42) | HCAR3TDP1MAPK14ESR1 | |
| SCHEMBL21550282 | 0.80 | ESR1 (0.35) | ALDH1A1SMN1; SMN2TDP1CCR4MAPK14 | |
| SCHEMBL20685774 | 0.80 | MAPK14 (0.42) | HCAR3MAPK14ESR1 | |
| SCHEMBL19692970 | 0.79 | FYN (0.44) | ALDH1A1SMN1; SMN2MAPK14MEN1NPC1 | |
| SCHEMBL21378510 | 0.79 | FYN (0.44) | ALDH1A1SMN1; SMN2MAPK14MEN1NPC1 | |
| SCHEMBL5756104 | 0.79 | GRM5 (0.36) | TDP1MAPK14ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3421465-A1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF | Beijing Tide Pharmaceutical Co., Ltd. (CN) | 2019-01-02 | — | — | EP | disclosed |