Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9506148 | 0.90 | CYP2D6 (0.57) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL9506174 | 0.90 | CYP2D6 (0.57) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL9506287 | 0.90 | RARB (0.46) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL9506293 | 0.90 | RARB (0.46) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL9508435 | 0.90 | RARB (0.46) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL9508441 | 0.90 | RARB (0.46) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL9510122 | 0.85 | RARB (0.44) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL9506333 | 0.83 | RARB (0.55) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL9506167 | 0.82 | NR5A1 (0.50) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL10469264 | 0.82 | NPC1 (0.58) | RARBCYP2D6CYP3A4KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |