Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 10/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10551753 | 1.00 | GRM2 (0.51) | GRM2CYP1A2PPARGSIRT2CYP3A4 | |
| SCHEMBL10551725 | 1.00 | GRM2 (0.51) | GRM2CYP1A2PPARGSIRT2CYP3A4 | |
| SCHEMBL10549221 | 0.99 | GRM2 (0.49) | GRM2CYP1A2PPARGSIRT2CYP3A4 | |
| SCHEMBL10551976 | 0.94 | GRM2 (0.44) | GRM2CYP1A2PPARGSIRT2CYP3A4 | |
| SCHEMBL10548384 | 0.89 | GRM2 (0.37) | GRM2CYP1A2PPARGCYP3A4CYP2D6 | |
| SCHEMBL10552268 | 0.88 | CYP1A2 (0.48) | CYP1A2PPARG | |
| SCHEMBL10549333 | 0.88 | GRM2 (0.52) | GRM2CYP1A2PPARGCYP3A4CYP2D6 | |
| SCHEMBL10551869 | 0.88 | GRM2 (0.52) | GRM2CYP1A2PPARGSIRT2 | |
| SCHEMBL10553130 | 0.88 | CYP1A2 (0.51) | GRM2CYP1A2PPARGSIRT2CYP3A4 | |
| SCHEMBL10553472 | 0.88 | CYP1A2 (0.48) | CYP1A2PPARG |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4818431-A | ELECTROOPTICAL DISPLAY ELEMENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-04-04 | — | — | US | disclosed |
| EP-0117476-B1 | TETRAHYDROPYRANES | MERCK PATENT GmbH (DE) | 1987-09-16 | — | — | EP | disclosed |
| EP-0117476-A1 | Tetrahydropyranes | MERCK PATENT GmbH (DE) | 1984-09-05 | — | — | EP | disclosed |