Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.43 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.43 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.43 |
| ▸ | PRKX | P51817 | 1/20 | 0.43 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.43 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7668995 | 0.80 | MAPK1 (0.45) | MAPK1CYP3A4ROCK2ROCK1RPS6KA5 | |
| SCHEMBL9700657 | 0.79 | MMP8 (0.46) | MAPK1CYP3A4CYP1A2MAPTSMN1; SMN2 | |
| SCHEMBL6888466 | 0.77 | USP2 (0.47) | MAPK1CYP3A4MAPTTSHRKMT2A | |
| SCHEMBL9538634 | 0.76 | MGLL (0.42) | MAPK1CYP3A4ROCK2ROCK1RPS6KA5 | |
| SCHEMBL4339886 | 0.72 | MAPK1 (0.63) | MAPK1CYP3A4ROCK2ROCK1RPS6KA5 | |
| SCHEMBL9336196 | 0.71 | KMT2A (0.47) | MAPK1CYP3A4MAPTTSHRKMT2A | |
| SCHEMBL4902230 | 0.71 | ATM (0.48) | CYP3A4CYP1A2ATM | |
| SCHEMBL22559221 | 0.71 | ATM (0.48) | CYP3A4CYP1A2ATM | |
| SCHEMBL4890941 | 0.71 | ATM (0.48) | CYP3A4CYP1A2ATM | |
| SCHEMBL29638860 | 0.71 | FDPS (0.46) | MAPK1CYP1A2TSHRSMN1; SMN2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993003721-A1 | CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION | WARNER-LAMBERT COMPANY (US) | 1993-03-04 | — | — | WO | claimed |
| WO-1993003721-A1 | CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION | WARNER-LAMBERT COMPANY (US) | 1993-03-04 | — | — | WO | disclosed |