Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8365562 | 0.85 | TGFBR1 (0.41) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL2666247 | 0.81 | FFAR1 (0.40) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL2666288 | 0.81 | CYP1A2 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8365573 | 0.80 | HSD11B1 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8365560 | 0.80 | GRM5 (0.41) | CYP3A4CYP1A2ALDH1A1FFAR1 | |
| SCHEMBL8363964 | 0.79 | CYP1A2 (0.44) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL31517722 | 0.77 | CASP6 (0.43) | IDH1KMT2AL3MBTL1TGFBR1NPY5R | |
| SCHEMBL8365589 | 0.77 | FFAR1 (0.36) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL2666248 | 0.77 | KMO (0.47) | KMT2AL3MBTL1MEN1NPC1RAB9A | |
| SCHEMBL8363956 | 0.74 | KMT2A (0.56) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 |
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 |