Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 4/20 | 0.55 |
| ▸ | APP | P05067 | 9/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.48 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.48 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.48 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | RARA | P10276 | 1/20 | 0.45 |
| ▸ | RARG | P13631 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10435238 | 1.00 | RARB (0.55) | RARBAPPCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL9842576 | 0.91 | APP (0.61) | RARBAPPCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL9842482 | 0.91 | APP (0.61) | RARBAPPCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL9842615 | 0.91 | APP (0.61) | RARBAPPCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL9842798 | 0.91 | APP (0.61) | RARBAPPCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL9842656 | 0.91 | APP (0.61) | RARBAPPCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL9842609 | 0.90 | APP (0.63) | RARBAPPCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL9193699 | 0.89 | RARB (0.45) | RARBAPPCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL9842704 | 0.87 | APP (0.64) | RARBAPPCYP3A4CYP2C19CYP2C9 | |
| SCHEMBL4827223 | 0.84 | MEN1 (0.47) | RARBRARAITGB3ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0394906-A2 | Liquid crystalline composition | MERCK PATENT GmbH (DE) | 1990-10-31 | — | — | EP | disclosed |