Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.45 |
| ▸ | ECE1 | P42892 | 2/20 | 0.45 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.45 |
| ▸ | RPS6KA4 | O75676 | 2/20 | 0.45 |
| ▸ | PRKACA | P17612 | 2/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | PRKX | P51817 | 2/20 | 0.45 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.45 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.45 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | 0.83 | MAPK1 (0.45) | CYP3A4MAPK1ROCK2ROCK1RPS6KA5 | |
| SCHEMBL9698405 | 0.80 | KDM4E (0.45) | CYP3A4MAPK1ROCK2ROCK1RPS6KA5 | |
| SCHEMBL9700976 | 0.78 | CCKBR (0.39) | CYP3A4 | |
| SCHEMBL9399329 | 0.77 | RAB9A (0.53) | CYP3A4TBXAS1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8928262 | 0.77 | ECE1 (0.52) | CYP3A4MAPK1ROCK2ROCK1ECE1 | |
| SCHEMBL27342817 | 0.77 | ECE1 (0.52) | CYP3A4MAPK1ROCK2ROCK1ECE1 | |
| SCHEMBL7663084 | 0.76 | CYP3A4 (0.41) | CYP3A4MAPK1ROCK2ROCK1 | |
| SCHEMBL7662141 | 0.76 | NPC1 (0.42) | CYP3A4MAPK1ROCK2ROCK1RPS6KA5 | |
| SCHEMBL9399642 | 0.76 | NPC1 (0.42) | CYP3A4MAPK1ROCK2ROCK1RPS6KA5 | |
| SCHEMBL8829867 | 0.75 | TACR1 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5331006-A | Cholecystokinin, antisecretory agents | WARNER-LAMBERT COMPANY (US) | 1994-07-19 | — | — | US | disclosed |
| WO-1992004025-A1 | AMINO ACID ANALOGS AS CCK ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1992-03-19 | — | — | WO | disclosed |