Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHIA | Q9BZP6 | 8/20 | 0.46 |
| ▸ | CHIT1 | Q13231 | 7/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17285885 | 0.87 | PKM (0.46) | CHIACHIT1OPRM1OPRK1OPRD1 | |
| SCHEMBL27817743 | 0.86 | HTR2A (0.49) | CHIACHIT1OPRM1OPRK1OPRD1 | |
| SCHEMBL22878125 | 0.85 | CHIA (0.44) | CHIACHIT1OPRM1OPRK1OPRD1 | |
| SCHEMBL17284552 | 0.85 | CHIA (0.60) | CHIACHIT1SIGMAR1 | |
| SCHEMBL17284222 | 0.85 | CHIA (0.58) | CHIACHIT1SIGMAR1DRD2CYP2D6 | |
| SCHEMBL17282029 | 0.83 | CHIA (0.45) | CHIACHIT1OPRM1OPRK1OPRD1 | |
| SCHEMBL17284559 | 0.83 | AOC3 (0.53) | CHIACHIT1SIGMAR1 | |
| SCHEMBL17284596 | 0.83 | CHIA (0.50) | CHIACHIT1SIGMAR1DRD2DRD3 | |
| SCHEMBL17284447 | 0.77 | SLC6A2 (0.58) | CHIAOPRM1OPRK1OPRD1SIGMAR1 | |
| SCHEMBL6836212 | 0.74 | KDM4E (0.58) | CHIACHIT1OPRM1OPRK1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015177326-A1 | 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-11-26 | — | — | WO | disclosed |