Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | CHIT1 | Q13231 | 4/20 | 0.42 |
| ▸ | CHIA | Q9BZP6 | 4/20 | 0.42 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17285933 | 0.87 | SIGMAR1 (0.57) | SIGMAR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1966332 | 0.87 | AOC3 (0.59) | SIGMAR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17284559 | 0.86 | AOC3 (0.53) | SIGMAR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17282038 | 0.84 | SIGMAR1 (0.47) | SIGMAR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18673273 | 0.84 | HRH3 (0.49) | SIGMAR1AOC3SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22878190 | 0.83 | CHIA (0.57) | SIGMAR1AOC3CHIT1CHIACHRM1 | |
| SCHEMBL22878125 | 0.83 | CHIA (0.44) | SIGMAR1CHIT1CHIACHRM1 | |
| SCHEMBL22878119 | 0.82 | CHIA (0.55) | SIGMAR1SLC6A2SLC6A4SLC6A3CHIA | |
| SCHEMBL22878154 | 0.81 | CHIA (0.47) | SIGMAR1CHIT1CHIACHRM1 | |
| SCHEMBL22878379 | 0.74 | SLC6A2 (0.58) | SIGMAR1SLC6A2SLC6A4SLC6A3CHIA |
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-3145929-B1 | 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-01-13 | — | — | EP | disclosed |