Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 14/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.51 |
| ▸ | HTR2A | P28223 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | AKT2 | P31751 | 3/20 | 0.41 |
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | ADK | P55263 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4475875 | 0.85 | MCHR1 (0.49) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL2324515 | 0.79 | MCHR1 (0.56) | MCHR1CHRM1HTR2ACYP2D6ADK | |
| SCHEMBL5228441 | 0.78 | MCHR1 (0.58) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL5226134 | 0.78 | MCHR1 (0.58) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL6366478 | 0.77 | MCHR1 (0.57) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL4481796 | 0.76 | MCHR1 (0.56) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL4475382 | 0.76 | MCHR1 (0.56) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL4481552 | 0.76 | MCHR1 (0.69) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL6366023 | 0.76 | MCHR1 (0.56) | MCHR1CHRM1HTR2ACYP2D6ACACB | |
| SCHEMBL5198730 | 0.75 | MCHR1 (0.63) | 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 | 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 |