Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 20/20 | 0.63 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.61 |
| ▸ | HTR2A | P28223 | 3/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL6427054 | 0.99 | MCHR1 (0.62) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL6429354 | 0.87 | MCHR1 (0.67) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL6432232 | 0.81 | MCHR1 (0.55) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL6365488 | 0.80 | MCHR1 (0.65) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL5228701 | 0.80 | MCHR1 (0.65) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL6430610 | 0.79 | MCHR1 (0.53) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL4516323 | 0.78 | MCHR1 (0.71) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL2320115 | 0.77 | MCHR1 (1.00) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL6427187 | 0.77 | MCHR1 (0.61) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL2321284 | 0.77 | MCHR1 (0.77) | MCHR1CHRM1HTR2ACYP2D6 |
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-1558578-A1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004039780-A1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-13 | — | — | WO | disclosed |