Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.55 |
| ▸ | HRH1 | P35367 | 2/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.55 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.55 |
| ▸ | MLNR | O43193 | 1/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4064509 | 1.00 | CHRM3 (0.55) | CHRM3CYP3A4ADRA1AHRH1HRH3 | |
| SCHEMBL4060176 | 1.00 | CHRM3 (0.55) | CHRM3CYP3A4ADRA1AHRH1HRH3 | |
| SCHEMBL4064512 | 0.95 | ADRA1A (0.55) | CHRM3CYP3A4ADRA1AHRH1HRH3 | |
| SCHEMBL4057687 | 0.95 | ADRA1A (0.55) | CHRM3CYP3A4ADRA1AHRH1HRH3 | |
| SCHEMBL4669099 | 0.77 | CHRNB2 (0.49) | CYP3A4ADRA1ASLC22A1CHRM2HTR1A | |
| SCHEMBL11457648 | 0.73 | HTR1A (0.49) | CHRM3CYP3A4ADRA1AHRH1HRH3 | |
| SCHEMBL10969378 | 0.73 | SIGMAR1 (0.56) | CYP3A4ADRA1ASLC22A1CHRM2HTR1A | |
| SCHEMBL4902168 | 0.72 | CYP3A4 (0.46) | CHRM3CYP3A4ADRA1AHRH1HRH3 | |
| SCHEMBL10966028 | 0.71 | SIGMAR1 (0.49) | CYP3A4ADRA1ASLC22A1TP53CHRM2 | |
| SCHEMBL4669101 | 0.71 | CHRNB2 (0.57) | CYP3A4ADRA1ASLC22A1CHRM2HTR1A |
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-2009094457-A2 | SUBSTITUTED BENZHYDRYLETHERS | AUSPEX PHARMACEUTICALS (US) | 2009-07-30 | — | — | WO | disclosed |