Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.63 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.63 |
| ▸ | MCHR1 | Q99705 | 6/20 | 0.61 |
| ▸ | LTA4H | P09960 | 2/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL14767389 | 0.92 | ESR1 (0.60) | ESR1ESR2MCHR1LTA4HHRH3 | |
| SCHEMBL12441100 | 0.87 | MCHR1 (0.69) | ESR1MCHR1LTA4HHRH3CYP2D6 | |
| SCHEMBL12439956 | 0.87 | LTA4H (0.64) | ESR1ESR2MCHR1LTA4HHRH3 | |
| SCHEMBL12440523 | 0.87 | MCHR1 (0.69) | MCHR1LTA4HHRH3CYP2D6CHRM1 | |
| SCHEMBL12440251 | 0.87 | MCHR1 (0.78) | MCHR1LTA4HHRH3CYP2D6CHRM1 | |
| SCHEMBL14039753 | 0.87 | MCHR1 (0.78) | MCHR1LTA4HHRH3CYP2D6CHRM1 | |
| SCHEMBL12440472 | 0.86 | MCHR1 (0.77) | MCHR1LTA4HHRH3CYP2D6CHRM1 | |
| SCHEMBL14767408 | 0.86 | LTA4H (0.54) | ESR1ESR2MCHR1LTA4HHRH3 | |
| SCHEMBL12440372 | 0.85 | MCHR1 (0.74) | MCHR1LTA4HHRH3CYP2D6CHRM1 | |
| SCHEMBL14767441 | 0.84 | ESR1 (0.61) | ESR1ESR2 |
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 |