Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 4/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 3/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 3/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6652803 | 0.98 | CHRNB4 (0.40) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3 | |
| SCHEMBL6649785 | 0.88 | TSHR (0.42) | CYP2D6CHRM1CYP2C9DRD2TSHR | |
| SCHEMBL6655668 | 0.87 | TSHR (0.37) | ADRA1AHRH1HRH3CYP2D6CHRM1 | |
| SCHEMBL6675842 | 0.76 | PDE4D (0.42) | CHRNB2KCNH2KDRCHRNA4 | |
| SCHEMBL11448375 | 0.73 | CHRM3 (0.48) | CHRNB4CHRNA3CHRNB2CHRNA7CHRM3 | |
| SCHEMBL11448596 | 0.71 | CHRM3 (0.47) | CHRNB4CHRNA3CHRNB2CHRNA7CHRM3 | |
| SCHEMBL14578283 | 0.71 | LTA4H (0.54) | CHRNB4CHRNA3CHRM3ADRA1AHRH1 | |
| SCHEMBL11449251 | 0.70 | HRH3 (0.57) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3 | |
| SCHEMBL14578281 | 0.69 | LTA4H (0.55) | CHRNB4CHRNA3CHRM3ADRA1AHRH1 | |
| SCHEMBL11448416 | 0.69 | LMNA (0.58) | CHRNB4CHRNA3CHRNB2HRH3CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1103243-B1 | UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P | ESTEVE LABOR DR (ES) | 2004-01-07 | — | — | EP | claimed |