Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10979763 | 1.00 | CHRM2 (0.40) | CHRM2CHRM4CHRM3CYP3A4CYP1A2 | |
| SCHEMBL19713548 | 1.00 | CHRM2 (0.40) | CHRM2CHRM4CHRM3CYP3A4CYP1A2 | |
| SCHEMBL17803325 | 1.00 | CHRM2 (0.40) | CHRM2CHRM4CHRM3CYP3A4CYP1A2 | |
| SCHEMBL418599 | 0.81 | MAPT (0.40) | CYP2D6HSD17B10 | |
| SCHEMBL416257 | 0.81 | MAPT (0.40) | CYP2D6HSD17B10 | |
| SCHEMBL31292607 | 0.79 | CHRM2 (0.33) | CHRM2CHRM4CHRM3TSHRSLC6A2 | |
| SCHEMBL19713515 | 0.77 | KDM4E (0.35) | CYP1A2CYP2D6TSHR | |
| SCHEMBL3628762 | 0.72 | — | — | |
| SCHEMBL989622 | 0.72 | — | — | |
| SCHEMBL7724355 | 0.72 | PPM1B (0.39) | CYP1A2HSD17B10SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3226690-B1 | NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES | MERCK SHARP & DOHME (US) | 2020-05-20 | — | — | EP | disclosed |