Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512365 | 1.00 | CYP2C9 (0.75) | CYP2C9ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL10762391 | 0.95 | CYP2C9 (0.69) | CYP2C9ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL10762401 | 0.95 | CYP2C9 (0.69) | CYP2C9ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL10761684 | 0.95 | CYP2C9 (0.69) | CYP2C9ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL10552046 | 0.91 | CYP2C9 (0.62) | CYP2C9ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL9501207 | 0.91 | CYP2C9 (0.62) | CYP2C9ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL19870479 | 0.91 | CYP2C9 (0.62) | CYP2C9ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL10341942 | 0.89 | CYP2C9 (0.61) | CYP2C9ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL9549140 | 0.89 | CYP2C9 (0.61) | CYP2C9ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL2974814 | 0.89 | CYP2C9 (0.77) | CYP2C9ALDH1A1LMNAMAPTKMT2A |
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-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |
| US-4400293-A | Liquid crystalline cyclohexylphenyl derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-08-23 | — | — | US | disclosed |