Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPC3 | Q13507 | 1/20 | 0.41 |
| ▸ | TRPC6 | Q9Y210 | 1/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.41 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 4/20 | 0.38 |
| ▸ | CMA1 | P23946 | 6/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | NTMT1 | Q9BV86 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5496923 | 0.82 | PIN1 (0.41) | TRPC3TRPC6KCNQ1ACKR3CNR2 | |
| SCHEMBL5496918 | 0.82 | PIN1 (0.41) | TRPC3TRPC6KCNQ1ACKR3CNR2 | |
| SCHEMBL5498366 | 0.81 | KCNQ1 (0.41) | TRPC3TRPC6KCNQ1ACKR3CNR2 | |
| SCHEMBL5498362 | 0.81 | KCNQ1 (0.41) | TRPC3TRPC6KCNQ1ACKR3CNR2 | |
| SCHEMBL3579231 | 0.76 | PIN1 (0.46) | TRPC3TRPC6KCNQ1ACKR3CNR2 | |
| SCHEMBL5491367 | 0.76 | PIN1 (0.46) | TRPC3TRPC6KCNQ1ACKR3CNR2 | |
| SCHEMBL5491375 | 0.76 | PIN1 (0.46) | TRPC3TRPC6KCNQ1ACKR3CNR2 | |
| SCHEMBL3539994 | 0.70 | TRPC3 (0.57) | TRPC3TRPC6ACKR3CNR2CNR1 | |
| SCHEMBL5489939 | 0.69 | ALDH1A1 (0.47) | KCNQ1CNR2CNR1PIN1 | |
| SCHEMBL5489938 | 0.69 | ALDH1A1 (0.47) | KCNQ1CNR2CNR1PIN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1381602-A1 | HETEROCYCLYLDICARBAMIDES AS CASPASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2004-01-21 | — | — | EP | disclosed |
| WO-2002085899-A1 | HETEROCYCLYLDICARBAMIDES AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-10-31 | — | — | WO | disclosed |