Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2178276 | 0.95 | SCN1A (0.33) | — | |
| SCHEMBL2990379 | 0.77 | CYP1A2 (0.41) | SIGMAR1CYP1A2 | |
| SCHEMBL2992787 | 0.74 | CYP1A2 (0.43) | SIGMAR1CYP1A2 | |
| SCHEMBL5183304 | 0.73 | EPHX1 (0.32) | CYP1A2 | |
| SCHEMBL2575329 | 0.73 | CYP3A4 (0.34) | SIGMAR1CHRM5CYP1A2CHRM2CHRM4 | |
| SCHEMBL19315953 | 0.73 | EPHX1 (0.32) | CYP1A2 | |
| SCHEMBL11863846 | 0.73 | TSHR (0.34) | SIGMAR1CHRM5CYP1A2CHRM2CHRM4 | |
| SCHEMBL2573206 | 0.73 | CYP3A4 (0.34) | SIGMAR1CHRM5CYP1A2CHRM2CHRM4 | |
| SCHEMBL331381 | 0.73 | EPHX1 (0.32) | CYP1A2 | |
| SCHEMBL10836392 | 0.73 | CYP3A4 (0.34) | SIGMAR1CHRM5CYP1A2CHRM2CHRM4 |
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-0131837-A1 | Liquid crystalline compounds | MERCK PATENT GmbH (DE) | 1985-01-23 | — | — | EP | disclosed |