Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 15/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 4/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5198072 | 0.89 | ACACB (0.43) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL4480961 | 0.85 | MCHR1 (0.42) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL4477825 | 0.82 | CCNC (0.44) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL4481571 | 0.80 | MCHR1 (0.45) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL4480448 | 0.78 | MCHR1 (0.45) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL4476323 | 0.70 | MCHR1 (0.47) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL2322078 | 0.70 | MCHR1 (0.53) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL4464940 | 0.69 | MCHR1 (0.59) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL4494039 | 0.69 | MCHR1 (0.61) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL4494047 | 0.69 | MCHR1 (0.61) | 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-1740572-A1 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005103031-A1 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |