Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1033059 | 0.88 | TRPA1 (0.50) | TRPA1PNMTSQORNPC1RAB9A | |
| SCHEMBL30940563 | 0.88 | TRPA1 (0.50) | TRPA1PNMTSQORNPC1RAB9A | |
| SCHEMBL28405842 | 0.80 | PNMT (0.49) | TRPA1PNMTSQORNPC1RAB9A | |
| Fluorene SCHEMBL29055454 | 0.79 | MAOA (0.48) | TRPA1PNMTNPC1RAB9ADRD3 | |
| Fluorene SCHEMBL23387530 | 0.79 | MAOA (0.52) | CDK1CDK2NPC1RAB9ACYP17A1 | |
| Fluorene SCHEMBL27936333 | 0.79 | MAOA (0.52) | CDK1CDK2NPC1RAB9ACYP17A1 | |
| Fluorene SCHEMBL25309211 | 0.79 | MAOA (0.52) | CDK1CDK2NPC1RAB9ACYP17A1 | |
| Fluorene SCHEMBL27983386 | 0.77 | MAOA (0.50) | CDK1CDK2NPC1RAB9ACYP17A1 | |
| Fluorene SCHEMBL28016247 | 0.77 | MAOA (0.50) | CDK1CDK2NPC1RAB9ACYP17A1 | |
| Fluorene SCHEMBL27945576 | 0.77 | MAOA (0.50) | CDK1CDK2NPC1RAB9ACYP17A1 |
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-0113293-A1 | Liquid crystals family with a smectic A phase, and process for its preparation | THOMSON-CSF (FR) | 1984-07-11 | — | — | EP | disclosed |