Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | GCGR | P47871 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | LIG1 | P18858 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL10485354 | 0.89 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL10749405 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL10485165 | 0.78 | MAPT (0.45) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL9687883 | 0.76 | HPGD (0.39) | ALDH1A1TSHRHSD17B10GCGRMAPK14 | |
| SCHEMBL10749908 | 0.75 | GABRA1 (0.40) | CYP1A2CYP3A4CYP2D6ALDH1A1HPGD | |
| SCHEMBL7764770 | 0.75 | HPGD (0.55) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL8434327 | 0.74 | CTSL (0.40) | ALDH1A1TSHRHSD17B10GCGRMAPK14 | |
| SCHEMBL5139622 | 0.74 | IDH1 (0.41) | CYP1A2CYP3A4CYP2D6HPGDMAPK1 | |
| SCHEMBL23744209 | 0.70 | ADRA1D (0.50) | CYP1A2ALDH1A1TSHRHSD17B10GCGR | |
| 1,2-Diallyloxybenzene SCHEMBL29768784 | 0.69 | HPGD (0.60) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR |
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-0477901-A2 | Cyclohexylphenylpyrimidines, process for their preparation und their use in liquid crystal compositions | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-04-01 | — | — | EP | disclosed |