Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 4/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 4/20 | 0.43 |
| ▸ | CSNK1D | P48730 | 4/20 | 0.43 |
| ▸ | CSNK1G2 | P78368 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | FASN | P49327 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18106901 | 0.90 | PIN1 (0.51) | ABL1PIN1IRAK4GSK3BCSNK1A1 | |
| SCHEMBL18106896 | 0.86 | NPC1 (0.60) | NPC1RAB9AMTORLPAR2 | |
| SCHEMBL15944957 | 0.82 | LPAR2 (0.61) | ABL1PIN1IRAK4GSK3BCSNK1A1 | |
| SCHEMBL18106902 | 0.81 | NPC1 (0.49) | ABL1IRAK4GSK3BCSNK1A1CSNK1D | |
| SCHEMBL18106904 | 0.79 | LPAR2 (0.48) | ABL1PIN1IRAK4GSK3BCSNK1A1 | |
| SCHEMBL18106891 | 0.78 | TRPV1 (0.42) | NPC1RAB9AMTORLPAR2 | |
| SCHEMBL18106895 | 0.76 | LPAR2 (0.67) | NPC1RAB9ALPAR2 | |
| SCHEMBL18106898 | 0.75 | LPAR2 (0.66) | IRAK4NPC1RAB9ALPAR2 | |
| SCHEMBL18106905 | 0.74 | LPAR2 (0.68) | CSNK1DMTORLPAR2KCNH2 | |
| SCHEMBL18106906 | 0.74 | SMN1; SMN2 (0.63) | GSK3BNPC1RAB9ALPAR2 |
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-2742029-B1 | N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS | MERCK PATENT GMBH (DE) | 2016-10-05 | — | — | EP | claimed |