Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.33 |
| ▸ | ABAT | P80404 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17983446 | 0.82 | ENPP3 (0.36) | ALDH1A1MAPTGSK3BALDH1A3 | |
| SCHEMBL19128274 | 0.81 | CDK8 (0.47) | CYP2A6BRD4ALDH1A1MAPT | |
| SCHEMBL8250696 | 0.79 | METAP2 (0.44) | ALDH1A1MAPTHSD17B10 | |
| SCHEMBL11208038 | 0.78 | SMN1; SMN2 (0.39) | CYP2A6BRD4ALDH1A1TYRCYP2A13 | |
| SCHEMBL2104139 | 0.78 | ALDH1A1 (0.35) | CYP2A6BRD4ALDH1A1TYRCYP2A13 | |
| SCHEMBL17066733 | 0.77 | ENPP3 (0.46) | ALDH1A1MAPTHSD17B10ALDH1A3 | |
| Ammonia Solution, Strong SCHEMBL28836149 | 0.77 | KMT2A (0.43) | ALDH1A1MAPTHSD17B10 | |
| SCHEMBL13637365 | 0.76 | BRD4 (0.36) | CYP2A6BRD4ALDH1A1TYRCYP2A13 | |
| SCHEMBL24484639 | 0.76 | RAB9A (0.47) | ALDH1A1MAPT | |
| SCHEMBL15823275 | 0.76 | RAD51 (0.43) | ALDH1A1HSD17B10ALDH1A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2544679-A1 | PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS | Omeros Corporation (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011112828-A1 | PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS | OMEROS CORPORATION (US) | 2011-09-15 | — | — | WO | disclosed |
| EP-0175187-A1 | 3,4-Dihydro-2(1H)-pyridones and 2(1H)-pyridones containing imidazole groups, method for their preparation and medicaments containing them | A. Nattermann & Cie. GmbH (DE) | 1986-03-26 | — | — | EP | disclosed |
| EP-0150463-A1 | Substituted 4.5-dihydro-6-vinyl-3(2H)-pyridazinones and 6-vinyl-3(2H)-pyridazinones and process for producing the same | A. Nattermann & Cie. GmbH (DE) | 1985-08-07 | — | — | EP | disclosed |