Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9506293 | 0.96 | RARB (0.46) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL9506287 | 0.96 | RARB (0.46) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL9508441 | 0.96 | RARB (0.46) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL9508435 | 0.96 | RARB (0.46) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL9506169 | 0.88 | NR5A1 (0.42) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL9506180 | 0.88 | NR5A1 (0.42) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL20358289 | 0.87 | RARB (0.54) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL10427318 | 0.86 | NPC1 (0.56) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL9508448 | 0.85 | RARB (0.52) | RARBCYP2D6CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL8879728 | 0.85 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0295370-B1 | LIQUID-CRYSTALLINE 5-PHENYL PYRIMIDINE DERIVATIVES WITH AN SC OR SC (ASTERISK) PHASE, AND METHOD FOR PREPARING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-08-11 | — | — | EP | disclosed |
| US-4906752-A | Liquid-crystal 5-phenylpyrimidine derivatives having sc or sc* phases and a process for preparing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-03-06 | — | — | US | disclosed |
| EP-0295370-A1 | Liquid-crystalline 5-phenyl pyrimidine derivatives with an Sc or Sc (asterisk) phase, and method for preparing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-12-21 | — | — | EP | disclosed |