Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2649693 | 0.79 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28603188 | 0.79 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL2649434 | 0.79 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL2649690 | 0.79 | ERN1 (0.43) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL2652533 | 0.77 | CYP2A6 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL13545692 | 0.77 | ACHE (0.41) | CYP2A6ALDH1A1CYP1A2CYP2B6LMNA | |
| SCHEMBL16809199 | 0.77 | CYP2A6 (0.53) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL21578105 | 0.77 | CYP2A6 (0.64) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL4147013 | 0.75 | CYP2A6 (0.61) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL13545698 | 0.74 | CYP2A6 (0.53) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002074773-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-09-26 | — | — | WO | disclosed |
| WO-2002074772-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-09-26 | — | — | WO | disclosed |