Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 10/20 | 0.46 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19193440 | 0.78 | PTGS1 (0.57) | VDRPTGS1PTGS2 | |
| SCHEMBL16957502 | 0.76 | THRB (0.45) | KAT6ACNR1CNR2THRBCYP4F2 | |
| SCHEMBL12802226 | 0.76 | THRB (0.45) | KAT6ACNR1CNR2THRBCYP4F2 | |
| SCHEMBL1361055 | 0.73 | KAT6A (0.44) | KAT6ACNR1CNR2THRBCYP4F2 | |
| SCHEMBL19192447 | 0.73 | TAS1R3 (0.45) | VDRPTGS1PTGS2 | |
| SCHEMBL19192441 | 0.73 | VDR (0.40) | VDRPTGS1PTGS2 | |
| SCHEMBL16958295 | 0.72 | KAT6A (0.47) | KAT6ACNR1CNR2CYP4F2CYP4A11 | |
| SCHEMBL13819738 | 0.71 | KAT6A (0.50) | KAT6ACYP4F2CYP4A11 | |
| SCHEMBL14193993 | 0.71 | KAT6A (0.43) | KAT6ACNR1CNR2THRBCYP4F2 | |
| SCHEMBL11050526 | 0.71 | KAT6A (0.50) | KAT6ACNR1CNR2THRBCYP4F2 |
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-3199533-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2017-08-02 | — | — | EP | disclosed |