Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 3/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8381523 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP17A1CYP11B2HDAC2KDM1A | |
| SCHEMBL8381522 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP17A1CYP11B2HDAC2KDM1A | |
| SCHEMBL9311508 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP17A1CYP11B2HDAC2KDM1A | |
| SCHEMBL8382880 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP17A1CYP11B2HDAC2KDM1A | |
| SCHEMBL8024912 | 0.96 | CYP17A1 (0.33) | CYP3A4CYP17A1CYP11B2HDAC2KDM1A | |
| SCHEMBL9479289 | 0.88 | HDAC2 (0.35) | CYP3A4CYP17A1CYP11B2HDAC2KDM1A | |
| SCHEMBL9479286 | 0.88 | HDAC2 (0.35) | CYP3A4CYP17A1CYP11B2HDAC2KDM1A | |
| SCHEMBL9479282 | 0.88 | HDAC2 (0.35) | CYP3A4CYP17A1CYP11B2HDAC2KDM1A | |
| SCHEMBL17070830 | 0.88 | HTR2A (0.35) | HDAC2KDM1A | |
| SCHEMBL8380314 | 0.87 | FFAR1 (0.33) | CYP3A4CYP11B2HDAC2NPC1RAB9A |
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-5292452-A | Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time | HOFFMANN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | claimed |
| US-5292452-A | Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time | HOFFMANN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | disclosed |