Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10817963 | 0.81 | CYP2A6 (0.62) | CYP2A6CYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL2678667 | 0.79 | NPC1 (0.51) | MEN1KMT2AALDH1A1TSHRATM | |
| SCHEMBL31186653 | 0.79 | CYP1A1 (0.46) | CYP2A6CYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL7964419 | 0.78 | UHRF1 (0.42) | CYP2A6CYP1A2CYP3A4CYP2C9MEN1 | |
| SCHEMBL8365585 | 0.76 | HPGDS (0.46) | CYP2A6CYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL30462066 | 0.76 | HSP90AA1 (0.40) | CYP2A6CYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL38651286 | 0.76 | CYP1A2 (0.54) | CYP1A2CLK4CYP3A4CYP2D6MAPK1 | |
| SCHEMBL2666244 | 0.75 | MEN1 (0.59) | CYP1A2CLK4CYP3A4CYP2C9MEN1 | |
| SCHEMBL8365598 | 0.75 | CYP1A1 (0.43) | CYP2A6CYP1A2CLK4CYP3A4CYP2D6 | |
| SCHEMBL832407 | 0.75 | L3MBTL1 (0.50) | CYP1A2CLK4MAPK1CYP2C9MEN1 |
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 |