Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 17/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.44 |
| ▸ | HTR2A | P28223 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6365471 | 0.89 | MCHR1 (0.62) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL5225518 | 0.87 | MCHR1 (0.49) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL5226871 | 0.84 | MCHR1 (0.59) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL5227062 | 0.83 | MCHR1 (0.51) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL5262930 | 0.81 | MCHR1 (0.47) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL5232422 | 0.80 | MCHR1 (0.47) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL5227157 | 0.79 | MCHR1 (0.57) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL2324373 | 0.78 | MCHR1 (0.80) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL5229395 | 0.75 | MCHR1 (0.48) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL5226038 | 0.75 | MCHR1 (0.60) | 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-1737824-A2 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005103032-A2 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |