Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.49 |
| ▸ | TSHR | P16473 | 5/20 | 0.49 |
| ▸ | USP2 | O75604 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 7/20 | 0.44 |
| ▸ | CDK9 | P50750 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29685386 | 0.82 | SYK (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL2666271 | 0.81 | IDH1 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL20742074 | 0.80 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL20742590 | 0.80 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL8365573 | 0.75 | HSD11B1 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL15345125 | 0.74 | S1PR1 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL8940603 | 0.74 | ERN1 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19USP2 | |
| SCHEMBL2666247 | 0.73 | FFAR1 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL22288342 | 0.73 | LRRK2 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19USP2 | |
| SCHEMBL2666287 | 0.73 | MAP4K1 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002076983-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-10-03 | — | — | WO | disclosed |