Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 16/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13708522 | 0.87 | MCHR1 (0.52) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL4485852 | 0.82 | MCHR1 (0.59) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL4488028 | 0.82 | MCHR1 (0.59) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL2328512 | 0.75 | MCHR1 (0.66) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL2325038 | 0.73 | MCHR1 (0.53) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL4511689 | 0.70 | MCHR1 (0.68) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL4493104 | 0.70 | MCHR1 (0.58) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL13920424 | 0.69 | MCHR1 (0.64) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL2323028 | 0.68 | MCHR1 (1.00) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL2326750 | 0.68 | MCHR1 (0.67) | 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-1737823-A2 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005103002-A2 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |