Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7499812 | 0.78 | CYP2D6 (0.32) | CYP2D6 | |
| SCHEMBL8055340 | 0.78 | CYP2D6 (0.40) | CYP2D6TSHR | |
| SCHEMBL7505966 | 0.77 | ADRB2 (0.34) | CYP2D6 | |
| SCHEMBL9347229 | 0.74 | CYP2D6 (0.54) | CYP2D6TSHR | |
| SCHEMBL8849619 | 0.71 | CYP2D6 (0.38) | CYP2D6TSHR | |
| SCHEMBL9347249 | 0.70 | CYP2D6 (0.37) | CYP2D6TSHR | |
| SCHEMBL9472400 | 0.70 | — | — | |
| SCHEMBL9343298 | 0.68 | CYP2C19 (0.54) | — | |
| SCHEMBL7488075 | 0.68 | CYP2D6 (0.38) | CYP2D6TSHR | |
| SCHEMBL8849484 | 0.67 | HTR1D (0.40) | CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0662958-B1 | 1-(2-OXO-ACETYL)-PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES AS MULTI-DRUG-RESISTENT CANCER CELL SENSITIZERS | VERTEX PHARMA (US) | 2002-12-11 | — | — | EP | disclosed |
| US-5620971-A | Biologically active acylated amino acid derivatives | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-04-15 | — | — | US | disclosed |