Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | CACNA1I | Q9P0X4 | 5/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 5/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.30 |
| ▸ | KCNA3 | P22001 | 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 | |
|---|---|---|---|---|
| SCHEMBL14393894 | 0.81 | KDM4E (0.39) | MCHR1TRPA1CCR5 | |
| SCHEMBL8067338 | 0.81 | TRPA1 (0.33) | TRPA1CCR5 | |
| SCHEMBL13656344 | 0.79 | KCNH2 (0.39) | KCNH2CACNA1IOPRM1KCNA3 | |
| SCHEMBL13660266 | 0.77 | MCHR1 (0.38) | KCNH2CACNA1IMCHR1TRPA1CCR5 | |
| SCHEMBL3293743 | 0.77 | MCHR1 (0.36) | MCHR1CCR5 | |
| SCHEMBL10202969 | 0.76 | KCNH2 (0.43) | KCNH2CACNA1I | |
| SCHEMBL14155728 | 0.76 | KDM4E (0.36) | TRPA1OPRM1CCR5 | |
| SCHEMBL17307161 | 0.75 | KCNH2 (0.42) | KCNH2CACNA1I | |
| SCHEMBL3352306 | 0.74 | MCHR1 (0.37) | MCHR1OPRM1CCR5 | |
| SCHEMBL27432388 | 0.74 | CYP2D6 (0.41) | 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 2 patents. 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 |
| US-7605176-B2 | β-ketoamide compounds with MCH antagonistic activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-20 | — | — | US | disclosed |