Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 2/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440015 | 0.88 | MCHR1 (0.69) | MCHR1ADRA2AADRA2BKCNH2HTR4 | |
| SCHEMBL2259794 | 0.82 | ALDH1A1 (0.47) | MCHR1ADRA2AADRA2BMAP4K4ADRA2C | |
| SCHEMBL4804050 | 0.81 | ALDH1A1 (0.50) | MCHR1ADRA2AADRA2BACHEHRH3 | |
| Hydrochloric Acid SCHEMBL4809872 | 0.81 | ALDH1A1 (0.46) | MCHR1ADRA2AADRA2BMAP4K4ADRA2C | |
| SCHEMBL1256258 | 0.79 | ACHE (0.55) | MCHR1MAP4K4ACHEHRH3 | |
| SCHEMBL18570582 | 0.76 | APP (0.43) | ADRA2AADRA2BADRA2C | |
| SCHEMBL24618881 | 0.76 | KIT (0.50) | MCHR1ADRA2AADRA2BMAP4K4HRH3 | |
| SCHEMBL12441139 | 0.74 | MCHR1 (0.55) | MCHR1KCNH2ACHE | |
| SCHEMBL3988708 | 0.73 | BACE1 (0.50) | MCHR1HRH3 | |
| SCHEMBL12440361 | 0.73 | MCHR1 (0.54) | MCHR1KCNH2ACHE |
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 |