Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 5/20 | 0.36 |
| ▸ | DRD2 | P14416 | 5/20 | 0.36 |
| ▸ | DRD1 | P21728 | 5/20 | 0.36 |
| ▸ | DRD4 | P21917 | 5/20 | 0.36 |
| ▸ | DRD5 | P21918 | 5/20 | 0.36 |
| ▸ | DRD3 | P35462 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10548589 | 1.00 | TSHR (0.46) | TSHRALDH1A1CFTRCHRM2CHRM4 | |
| SCHEMBL10556430 | 1.00 | TSHR (0.46) | TSHRALDH1A1CFTRCHRM2CHRM4 | |
| SCHEMBL10550839 | 0.98 | TSHR (0.47) | TSHRALDH1A1CFTRCHRM2CHRM4 | |
| SCHEMBL10550836 | 0.98 | TSHR (0.47) | TSHRALDH1A1CFTRCHRM2CHRM4 | |
| SCHEMBL10552720 | 0.94 | TSHR (0.48) | TSHRCHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL10548043 | 0.92 | CHRM2 (0.43) | TSHRALDH1A1CHRM2GRM2 | |
| SCHEMBL10551365 | 0.92 | CHRM2 (0.43) | TSHRALDH1A1CHRM2GRM2 | |
| SCHEMBL10548697 | 0.92 | CHRM2 (0.43) | TSHRALDH1A1CHRM2GRM2 | |
| SCHEMBL10548251 | 0.90 | CHRM2 (0.44) | TSHRALDH1A1CHRM2GRM2 | |
| SCHEMBL10550706 | 0.88 | TSHR (0.52) | TSHRCHRM2CHRM4CHRM1CHRM3 |
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 |