Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12441118 | 0.89 | MCHR1 (0.57) | ESR1ESR2LTA4HMCHR1ACHE | |
| SCHEMBL13855799 | 0.80 | SMN1; SMN2 (0.71) | SMN1; SMN2ESR1ESR2LTA4HKDM4E | |
| SCHEMBL12440363 | 0.80 | MCHR1 (0.57) | SMN1; SMN2ESR1ESR2MCHR1KDM4E | |
| SCHEMBL18010724 | 0.79 | SMN1; SMN2 (0.74) | SMN1; SMN2ESR1ESR2LTA4HKDM4E | |
| SCHEMBL12439925 | 0.79 | SMN1; SMN2 (0.56) | SMN1; SMN2ESR1ESR2MCHR1KDM4E | |
| SCHEMBL14767414 | 0.78 | MCHR1 (0.56) | LTA4HMCHR1HTR2CHRH3 | |
| SCHEMBL14767429 | 0.77 | MCHR1 (0.46) | SMN1; SMN2LTA4HMCHR1KDM4EHRH3 | |
| SCHEMBL12440267 | 0.77 | MCHR1 (0.67) | LTA4HMCHR1 | |
| SCHEMBL12441119 | 0.77 | MCHR1 (0.58) | MCHR1HTR2CHRH3 | |
| SCHEMBL12440480 | 0.76 | MCHR1 (0.57) | SMN1; SMN2LTA4HMCHR1KDM4EHTR2C |
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 |