Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 15/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440662 | 0.89 | HRH3 (0.57) | HRH3ALDH1A1HRH4CYP2D6 | |
| SCHEMBL12441461 | 0.76 | MCHR1 (0.57) | HRH3HRH4TSHR | |
| SCHEMBL19291552 | 0.75 | HRH3 (0.62) | HRH3HRH4CYP2D6CYP2C19 | |
| SCHEMBL54966 | 0.73 | ALDH1A1 (0.96) | HRH3ALDH1A1HRH4CYP2D6CYP2C19 | |
| SCHEMBL31010237 | 0.73 | HRH3 (0.66) | HRH3TSHRACHERAD52 | |
| SCHEMBL12440536 | 0.72 | KDM4E (0.55) | HRH3ALDH1A1HRH4CYP2D6CYP2C19 | |
| SCHEMBL62541 | 0.72 | ALDH1A1 (1.00) | HRH3ALDH1A1HRH4CYP2D6CYP2C19 | |
| SCHEMBL10616916 | 0.72 | ALDH1A1 (1.00) | HRH3ALDH1A1HRH4CYP2D6CYP2C19 | |
| SCHEMBL3156543 | 0.72 | ALDH1A1 (1.00) | HRH3ALDH1A1HRH4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL5521932 | 0.72 | ALDH1A1 (0.92) | HRH3ALDH1A1HRH4ACHECYP2D6 |
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 |