Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 18/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.47 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL4493107 | 0.78 | MCHR1 (0.51) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL4493104 | 0.76 | MCHR1 (0.58) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL6365733 | 0.72 | MCHR1 (0.48) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL5258320 | 0.72 | MCHR1 (0.48) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL6429354 | 0.71 | MCHR1 (0.67) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL5114893 | 0.71 | MCHR1 (0.40) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL6365091 | 0.71 | MCHR1 (0.52) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL5154979 | 0.71 | MCHR1 (0.52) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL5228668 | 0.70 | MCHR1 (0.49) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL6364870 | 0.70 | MCHR1 (0.49) | MCHR1CHRM1HTR2ACYP2D6ACACB |
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 | claimed |
| 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 | claimed |