Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.44 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | RPS6KA5 | O75582 | 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 | |
|---|---|---|---|---|
| SCHEMBL9399648 | 0.81 | CYP1A2 (0.48) | CYP3A4MAPK1CYP1A2MAPTKDM4E | |
| SCHEMBL19385999 | 0.79 | CYP1A2 (0.48) | CYP1A2CYSLTR2CYSLTR1 | |
| SCHEMBL19386000 | 0.79 | CYP1A2 (0.48) | CYP1A2CYSLTR2CYSLTR1 | |
| SCHEMBL12047061 | 0.79 | CYP1A2 (0.56) | CYP1A2ALDH1A1MAPTCYSLTR2CYSLTR1 | |
| SCHEMBL18595243 | 0.77 | CYP3A4 (0.83) | CYP3A4MAPK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL14945004 | 0.77 | CYP1A2 (0.60) | CYP1A2ALDH1A1KDM4ECYSLTR2CYSLTR1 | |
| SCHEMBL14640300 | 0.77 | CYP1A2 (0.60) | CYP1A2ALDH1A1KDM4ECYSLTR2CYSLTR1 | |
| SCHEMBL7905499 | 0.75 | MAPK1 (0.79) | CYP3A4MAPK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL7906502 | 0.75 | MAPK1 (0.79) | CYP3A4MAPK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL27874048 | 0.75 | MAPK1 (0.79) | CYP3A4MAPK1ALDH1A1THRBCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5331006-A | Cholecystokinin, antisecretory agents | WARNER-LAMBERT COMPANY (US) | 1994-07-19 | — | — | US | disclosed |