Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.39 |
| ▸ | CACNA1I | Q9P0X4 | 6/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL26748967 | 0.85 | S1PR1 (0.44) | KCNH2DRD2S1PR1S1PR3S1PR5 | |
| SCHEMBL17307161 | 0.79 | KCNH2 (0.42) | KCNH2CACNA1I | |
| SCHEMBL13656277 | 0.79 | KCNH2 (0.39) | KCNH2CACNA1IKCNA3OPRM1 | |
| SCHEMBL12666963 | 0.78 | DRD2 (0.34) | DRD2OPRM1OPRK1 | |
| SCHEMBL27432388 | 0.78 | CYP2D6 (0.41) | KCNH2CACNA1IDRD2SIGMAR1 | |
| SCHEMBL18860252 | 0.78 | KCNH2 (0.35) | KCNH2CACNA1I | |
| SCHEMBL10202969 | 0.77 | KCNH2 (0.43) | KCNH2CACNA1I | |
| SCHEMBL13246592 | 0.77 | ALOX15 (0.38) | KCNH2CACNA1ISIGMAR1 | |
| SCHEMBL19543020 | 0.77 | ALOX15 (0.38) | KCNH2CACNA1ISIGMAR1 | |
| SCHEMBL20125805 | 0.77 | — | — |
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-7592373-B2 | Amide compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-09-22 | — | — | US | disclosed |