Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 5/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | RGS12 | O14924 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21446955 | 1.00 | OPRK1 (0.50) | OPRK1HTR2ACHRM2ADRA1ARGS12 | |
| SCHEMBL13464073 | 0.82 | OPRK1 (0.49) | OPRK1HTR2ACHRM2ADRA1ARGS12 | |
| SCHEMBL6577111 | 0.79 | OPRK1 (0.44) | OPRK1HTR2ACHRM2ADRA1ARGS12 | |
| SCHEMBL6577107 | 0.79 | OPRK1 (0.44) | OPRK1HTR2ACHRM2ADRA1ARGS12 | |
| SCHEMBL1953208 | 0.78 | MAPK1 (0.48) | OPRK1KMT2ALMNAALDH1A1RIPK1 | |
| SCHEMBL4337140 | 0.78 | MAPK1 (0.47) | OPRK1KMT2ALMNARIPK1MAPK1 | |
| SCHEMBL1421212 | 0.77 | OPRK1 (0.45) | OPRK1HTR2ACHRM2ADRA1ARGS12 | |
| SCHEMBL12797626 | 0.77 | OPRK1 (0.45) | OPRK1HTR2ACHRM2ADRA1ARGS12 | |
| SCHEMBL19290647 | 0.77 | OPRK1 (0.45) | OPRK1HTR2ACHRM2ADRA1ARGS12 | |
| Hydrochloric Acid SCHEMBL7836818 | 0.76 | OPRK1 (0.60) | OPRK1HTR2ACHRM2ADRA1ARGS12 |
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-2014106606-A1 | NOVE PHENYL/PYRIDINE SERIES SUBSTITUED BY HYDROXYETHYLAMINO FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2014-07-10 | — | — | WO | disclosed |