Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.68 |
| ▸ | DRD2 | P14416 | 2/20 | 0.68 |
| ▸ | DRD4 | P21917 | 2/20 | 0.68 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.68 |
| ▸ | DRD3 | P35462 | 2/20 | 0.68 |
| ▸ | KCNA3 | P22001 | 7/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9581143 | 0.85 | CYP3A4 (0.60) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL11532046 | 0.83 | CYP2D6 (0.46) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL11644267 | 0.82 | CYP2D6 (0.45) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL24683553 | 0.81 | OPRM1 (1.00) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL11537087 | 0.78 | EBP (0.50) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL11530730 | 0.78 | CYP2D6 (0.56) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL10653133 | 0.78 | CYP3A4 (0.53) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL6258542 | 0.78 | DRD2 (0.68) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL11473076 | 0.77 | CYP2D6 (0.46) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL11532266 | 0.76 | SIGMAR1 (0.43) | CYP2D6DRD2DRD4OPRM1DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE29556-E | 1,1-Diaryl-1-oxadiazol-alkylamines | G. D. SEARLE & CO. (US) | 1978-02-28 | — | — | US | disclosed |
| US-4017491-A | 1,1-Diaryl-1H-tetrazole amines | G. D. SEARLE & CO. (US) | 1977-04-12 | — | — | US | disclosed |