Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | RBP4 | P02753 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17232656 | 0.83 | CYP2C19 (0.37) | CYP2C19CHRM3HCAR2RBP4PNMT | |
| SCHEMBL20952906 | 0.83 | CYP2C19 (0.51) | CYP2C19HCAR2HTTHSD17B10 | |
| SCHEMBL17229735 | 0.80 | CYP2C19 (0.38) | CYP2C19CHRM3RBP4HSD17B10PNMT | |
| SCHEMBL20053807 | 0.78 | HMOX1 (0.35) | CYP2C19HCAR2HTTHSD17B10 | |
| SCHEMBL20053806 | 0.77 | CREBBP (0.50) | — | |
| SCHEMBL17234812 | 0.76 | CYP2C19 (0.37) | CYP2C19CHRM3RBP4 | |
| SCHEMBL13948699 | 0.76 | HCAR2 (0.44) | HCAR2HTTHSD17B10 | |
| SCHEMBL14048246 | 0.76 | HCAR2 (0.44) | HCAR2HTTHSD17B10 | |
| SCHEMBL19831875 | 0.76 | CREBBP (0.53) | HCAR2RBP4 | |
| SCHEMBL17234786 | 0.74 | ALDH1A1 (0.49) | CYP2C19CHRM3RBP4 |
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-2015168286-A1 | SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARAITON AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-11-05 | — | — | WO | disclosed |