Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 3/20 | 0.42 |
| ▸ | HRH2 | P25021 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6631216 | 0.85 | HRH1 (0.58) | CYP2D6CYP19A1DRD3KCNH2CHRM2 | |
| SCHEMBL3242570 | 0.83 | CYP2D6 (0.41) | CYP2D6CYP19A1DRD3KCNH2CHRM2 | |
| SCHEMBL23724037 | 0.83 | HRH1 (0.60) | CYP2D6DRD3KCNH2CHRM2ADRA2A | |
| SCHEMBL3243434 | 0.83 | HRH1 (0.60) | CYP2D6DRD3KCNH2CHRM2ADRA2A | |
| SCHEMBL4431100 | 0.83 | SLC6A9 (0.45) | CYP2D6DRD3KCNH2CHRM2ADRA2A | |
| SCHEMBL14034041 | 0.82 | CYP2D6 (0.48) | CYP2D6CYP19A1DRD3KCNH2CHRM2 | |
| Hydrochloric Acid SCHEMBL6951585 | 0.82 | HRH1 (0.45) | CYP2D6DRD3KCNH2CHRM2ADRA2A | |
| Hydrochloric Acid SCHEMBL3818204 | 0.82 | HRH1 (0.60) | CYP2D6DRD3KCNH2CHRM2ADRA2A | |
| Hydrochloric Acid SCHEMBL21462452 | 0.82 | HRH1 (0.45) | CYP2D6DRD3KCNH2CHRM2ADRA2A | |
| Hydrochloric Acid SCHEMBL5686146 | 0.82 | HRH1 (0.45) | CYP2D6DRD3KCNH2CHRM2ADRA2A |
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-1165533-B1 | COMPOUNDS AND METHODS FOR TREATMENT OF ASTHMA, ALLERGY AND INFLAMMATORY DISORDERS | UCB SA (BE) | 2004-10-13 | — | — | EP | disclosed |
| EP-1418173-A1 | N-(3-butyn-1-yl) N-hydroxyurea | UCB, S.A. (BE) | 2004-05-12 | — | — | EP | disclosed |