Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | OPRD1 | P41143 | 15/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27984478 | 0.94 | MEN1 (0.72) | CYP2D6CYP19A1MEN1KMT2AOPRD1 | |
| SCHEMBL13997180 | 0.77 | MEN1 (0.72) | CYP2D6CYP19A1MEN1KMT2AOPRD1 | |
| SCHEMBL19700743 | 0.77 | SLC6A4 (0.46) | SLC6A2SLC6A4 | |
| SCHEMBL1137956 | 0.76 | CYP2D6 (1.00) | CYP2D6CYP19A1MEN1KMT2AOPRD1 | |
| SCHEMBL336219 | 0.76 | CYP2D6 (0.67) | CYP2D6CYP19A1MEN1KMT2AOPRD1 | |
| SCHEMBL8963511 | 0.76 | CYP2D6 (0.67) | CYP2D6CYP19A1MEN1KMT2AOPRD1 | |
| SCHEMBL15100999 | 0.76 | CYP2D6 (0.67) | CYP2D6CYP19A1MEN1KMT2AOPRD1 | |
| SCHEMBL219432 | 0.75 | MEN1 (1.00) | CYP2D6CYP19A1MEN1KMT2AOPRD1 | |
| SCHEMBL2794662 | 0.75 | MEN1 (1.00) | CYP2D6CYP19A1MEN1KMT2AOPRD1 | |
| SCHEMBL20289359 | 0.75 | SLC6A4 (0.48) | CYP2D6SLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102942538-B | Substituted benzhydryl piperazine derivative and preparation method and application thereof | UNIV NANJING MEDICAL | 2014-11-05 | — | — | CN | disclosed |