Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 5/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13656334 | 0.81 | KCNH2 (0.36) | ALDH1A1SMN1; SMN2KCNH2CACNA1IDRD2 | |
| SCHEMBL18872038 | 0.79 | HRH3 (0.39) | ALDH1A1SMN1; SMN2KCNH2CACNA1IDRD2 | |
| SCHEMBL13887618 | 0.78 | GRIN2D (0.35) | ALDH1A1SMN1; SMN2KCNH2CACNA1IDRD2 | |
| SCHEMBL13656277 | 0.77 | KCNH2 (0.39) | MCHR1KCNH2CACNA1ICCR5TRPA1 | |
| SCHEMBL18859425 | 0.77 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2KCNH2CACNA1IDRD2 | |
| SCHEMBL14393894 | 0.77 | KDM4E (0.39) | MCHR1CCR5DRD2TRPA1 | |
| SCHEMBL18859483 | 0.77 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2KCNH2CACNA1IDRD2 | |
| SCHEMBL19958939 | 0.75 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2KCNH2CACNA1I | |
| SCHEMBL12788365 | 0.75 | HRH3 (0.41) | ALDH1A1SMN1; SMN2KCNH2CACNA1I | |
| SCHEMBL13683441 | 0.74 | KCNH2 (0.33) | KCNH2CACNA1I |
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 |
|---|---|---|---|---|---|---|---|
| US-7605176-B2 | β-ketoamide compounds with MCH antagonistic activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-20 | — | — | US | disclosed |