Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | BCR | P11274 | 1/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.47 |
| ▸ | PRKCA | P17252 | 1/20 | 0.47 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23331514 | 0.78 | CYP3A4 (0.67) | CYP3A4CYP2A6CYP1A2TSHRTDP1 | |
| SCHEMBL28115752 | 0.76 | CYP2A6 (0.51) | CYP3A4CYP2A6CYP1A2MEN1KMT2A | |
| SCHEMBL15624620 | 0.74 | TDO2 (0.56) | CYP3A4CYP2A6CYP1A2TDP1ABL1 | |
| SCHEMBL4915273 | 0.73 | RPS6KA3 (0.54) | CYP3A4CYP1A2ALOX15CYP2D6CLK4 | |
| SCHEMBL403413 | 0.71 | CYP3A4 (1.00) | CYP3A4CYP2A6CYP1A2TSHRTDP1 | |
| SCHEMBL12362830 | 0.71 | ENPP2 (0.58) | CYP3A4TSHRALOX15MEN1KMT2A | |
| SCHEMBL2649494 | 0.71 | AXL (0.56) | CYP3A4CYP2A6CYP1A2MEN1CYP19A1 | |
| SCHEMBL23532463 | 0.71 | NOTUM (0.62) | CYP3A4TSHRALOX15MEN1KMT2A | |
| SCHEMBL2665898 | 0.71 | CYP2A6 (0.51) | CYP3A4CYP2A6CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL2649040 | 0.71 | CYP11B2 (0.54) | CYP3A4CYP2A6CYP1A2TSHRKMT2A |
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-1381606-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2004-01-21 | — | — | EP | disclosed |
| WO-2002074773-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-09-26 | — | — | WO | disclosed |