Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.37 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.31 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.31 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL803146 | 0.88 | ESR2 (0.41) | SLC6A3AKR1C3AKR1C2AKR1B10AKR1C4 | |
| SCHEMBL26167206 | 0.81 | CYP3A4 (0.38) | SLC6A3CYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL4549771 | 0.80 | CYP3A4 (0.41) | SLC6A3AKR1C3AKR1C2AKR1B10AKR1C4 | |
| SCHEMBL10037540 | 0.77 | ESR2 (0.36) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL18069652 | 0.77 | AKR1C3 (0.50) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL12075617 | 0.77 | CYP3A4 (0.39) | SLC6A3AKR1C3AKR1C2AKR1B10AKR1C4 | |
| SCHEMBL26672922 | 0.77 | CYP3A4 (0.36) | SLC6A3CYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL18736336 | 0.77 | SLC6A3 (0.36) | SLC6A3 | |
| SCHEMBL24661359 | 0.77 | AKR1C3 (0.43) | SLC6A3AKR1C3AKR1C2AKR1B10AKR1C4 | |
| SCHEMBL12056677 | 0.76 | NPC1 (0.37) | CYP3A4CYP2C9APPCYP2D6CYP2C19 |
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-9005720-B2 | Liquid-crystal display | MERCK PATENT GMBH (DE) | 2015-04-14 | — | — | US | disclosed |