Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.41 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7794081 | 1.00 | CYP2D6 (0.46) | CYP2D6CYP3A4ALDH1A1S1PR1MAOB | |
| SCHEMBL7784549 | 0.91 | CYP3A4 (0.52) | CYP2D6CYP3A4ALDH1A1S1PR1CYP19A1 | |
| SCHEMBL7793413 | 0.91 | CYP3A4 (0.52) | CYP2D6CYP3A4ALDH1A1S1PR1CYP19A1 | |
| SCHEMBL7790491 | 0.90 | CYP3A4 (0.55) | CYP2D6CYP3A4ALDH1A1S1PR1LMNA | |
| SCHEMBL7790048 | 0.90 | CYP3A4 (0.55) | CYP2D6CYP3A4ALDH1A1S1PR1LMNA | |
| SCHEMBL7790464 | 0.88 | ACACB (0.48) | ALDH1A1S1PR1MAOBLMNAL3MBTL1 | |
| SCHEMBL20151741 | 0.87 | LMNA (0.50) | CYP3A4ALDH1A1S1PR1MAOBLMNA | |
| SCHEMBL7794086 | 0.86 | RAB9A (0.52) | CYP2D6CYP3A4ALDH1A1MAOBCYP19A1 | |
| SCHEMBL7794102 | 0.85 | RAB9A (0.59) | CYP2D6ALDH1A1CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL17897414 | 0.85 | CYP3A4 (0.61) | CYP2D6CYP3A4ALDH1A1CYP19A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1150937-A1 | LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS | QinetiQ Limited (GB) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000039062-A1 | LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2000-07-06 | — | — | WO | disclosed |