Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 4/20 | 0.54 |
| ▸ | ESR1 | P03372 | 6/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440195 | 0.90 | MCHR1 (0.59) | LTA4HMCHR1CHRM1HTR2AHRH3 | |
| SCHEMBL14767387 | 0.86 | ESR1 (0.63) | LTA4HESR1ESR2MCHR1CHRM1 | |
| SCHEMBL4692595 | 0.86 | LTA4H (0.69) | LTA4HESR1ESR2HRH3ACHE | |
| SCHEMBL12440214 | 0.79 | MCHR1 (0.59) | MCHR1CHRM1HTR2AHRH3 | |
| SCHEMBL14767389 | 0.79 | ESR1 (0.60) | LTA4HESR1ESR2MCHR1CHRM1 | |
| SCHEMBL12440210 | 0.78 | MCHR1 (0.57) | MCHR1CHRM1HTR2AHRH3 | |
| SCHEMBL12440032 | 0.77 | HRH3 (0.70) | LTA4HMCHR1CHRM1HTR2AHRH3 | |
| SCHEMBL12441194 | 0.77 | MCHR1 (0.56) | MCHR1CHRM1HTR2AHRH3 | |
| SCHEMBL12441185 | 0.77 | MCHR1 (0.56) | MCHR1CHRM1HTR2AHRH3 | |
| SCHEMBL12441099 | 0.76 | MCHR1 (0.72) | MCHR1CHRM1HTR2AHRH3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1558578-B1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-03-13 | — | — | EP | disclosed |