Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.41 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.41 |
| ▸ | PRKX | P51817 | 1/20 | 0.41 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.41 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9399661 | 0.81 | CYP3A4 (0.68) | CYP1A2MAPK1CYP3A4KDM4EMEN1 | |
| SCHEMBL19386000 | 0.78 | CYP1A2 (0.48) | CYP1A2ALOX5CYSLTR2CYSLTR1HDAC1 | |
| SCHEMBL19385999 | 0.78 | CYP1A2 (0.48) | CYP1A2ALOX5CYSLTR2CYSLTR1HDAC1 | |
| SCHEMBL9699633 | 0.77 | MAPK1 (0.47) | CYP1A2MAPK1CYP3A4KDM4EMEN1 | |
| SCHEMBL8829870 | 0.75 | EGFR (0.49) | MAPK1CYP3A4PARP1PARP3ROCK2 | |
| SCHEMBL4330755 | 0.74 | MAPK1 (0.68) | CYP1A2MAPK1CYP3A4KDM4EMEN1 | |
| Acetic Acid SCHEMBL27459479 | 0.73 | CYP1A2 (0.64) | CYP1A2KDM4EMEN1MAPTKMT2A | |
| SCHEMBL9699683 | 0.72 | MAPK1 (0.46) | MAPK1CYP3A4KDM4EMEN1MAPT | |
| SCHEMBL2089507 | 0.71 | MAPK1 (0.69) | MAPK1CYP3A4KMT2AROCK2ROCK1 | |
| SCHEMBL892377 | 0.71 | MAPK1 (0.64) | MAPK1CYP3A4KMT2AROCK2ROCK1 |
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 |