Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 4/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | LATS1 | O95835 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8365585 | 0.78 | HPGDS (0.46) | MEN1KMT2ACLK4CYP1A2CYP3A4 | |
| SCHEMBL2678667 | 0.78 | NPC1 (0.51) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL31186653 | 0.77 | CYP1A1 (0.46) | MEN1KMT2ACLK4CYP1A2CYP3A4 | |
| SCHEMBL20743671 | 0.77 | GABRA1 (0.36) | S1PR1S1PR3GABRA1GABRG2GABRB3 | |
| SCHEMBL2443645 | 0.77 | IRAK4 (0.37) | S1PR1S1PR3GABRA1GABRG2GABRB3 | |
| SCHEMBL27344405 | 0.77 | GABRA1 (0.36) | S1PR1S1PR3GABRA1GABRG2GABRB3 | |
| SCHEMBL7964419 | 0.76 | UHRF1 (0.42) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10817963 | 0.76 | CYP2A6 (0.62) | KMT2ACLK4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20744163 | 0.74 | CYP2A6 (0.54) | S1PR1S1PR3GABRA1GABRG2GABRB3 | |
| SCHEMBL2666364 | 0.74 | CYP2A6 (0.38) | MEN1KMT2ACLK4CYP1A2CYP3A4 |
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 |