Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 6/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 6/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 6/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 6/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 6/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 6/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL7334296 | 1.00 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP2C19PSEN1PSEN2 | |
| SCHEMBL7334291 | 1.00 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP2C19PSEN1PSEN2 | |
| SCHEMBL7328244 | 0.77 | ALDH1A1 (0.41) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL7328246 | 0.77 | ALDH1A1 (0.41) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL9719268 | 0.72 | MEN1 (0.31) | ALDH1A1 | |
| SCHEMBL9719264 | 0.72 | MEN1 (0.31) | ALDH1A1 | |
| SCHEMBL9719261 | 0.72 | MEN1 (0.31) | ALDH1A1 | |
| SCHEMBL11743620 | 0.69 | ALOX12 (0.32) | — | |
| SCHEMBL11743615 | 0.69 | ALOX12 (0.32) | — | |
| SCHEMBL7333402 | 0.68 | IDO1 (0.39) | GAA |
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-5158945-A | Cardiotonic agents, vasodilators, hypotensive agents, anticonvulsants, antiisichemic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-10-27 | — | — | US | disclosed |
| EP-0370320-B1 | LACTAMIMIDES IN THE TREATMENT OF DRUG-RESISTANT PROTOZOAL INFECTIONS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-09-30 | — | — | EP | disclosed |