Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 3/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | PRKCB | P05771 | 1/20 | 0.36 |
| ▸ | INSR | P06213 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 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 | |
|---|---|---|---|---|
| SCHEMBL15385515 | 1.00 | TRPV1 (0.42) | TRPV1ROCK2ROCK1GRIN2BAURKA | |
| SCHEMBL433021 | 0.91 | TRPV1 (0.37) | TRPV1ROCK2ROCK1GRIN2BKCNK3 | |
| SCHEMBL433022 | 0.91 | TRPV1 (0.37) | TRPV1ROCK2ROCK1GRIN2BKCNK3 | |
| SCHEMBL435712 | 0.90 | TRPV1 (0.36) | TRPV1ROCK2ROCK1GRIN2BAURKA | |
| SCHEMBL435713 | 0.90 | TRPV1 (0.36) | TRPV1ROCK2ROCK1GRIN2BAURKA | |
| SCHEMBL434161 | 0.89 | TRPV1 (0.37) | TRPV1ROCK2ROCK1AURKAAURKB | |
| SCHEMBL434659 | 0.89 | ROCK2 (0.45) | ROCK2ROCK1 | |
| SCHEMBL434660 | 0.89 | ROCK2 (0.45) | ROCK2ROCK1 | |
| SCHEMBL434160 | 0.89 | TRPV1 (0.37) | TRPV1ROCK2ROCK1AURKAAURKB | |
| SCHEMBL433872 | 0.89 | MAOA (0.37) | TRPV1ALDH1A1HTTRAB9ASMN1; SMN2 |
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-2012012410-A2 | KAPPA OPIOID RECEPTOR AGONISTS | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-01-26 | — | — | WO | disclosed |