Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL25665126 | 0.79 | TRPA1 (0.43) | TRPA1CYP1A2CYP2A6PLK1CXCR4 | |
| SCHEMBL13754339 | 0.75 | TRPA1 (0.40) | TRPA1CYP1A2CYP2A6PLK1LMNA | |
| SCHEMBL24524710 | 0.73 | GAA (0.41) | TRPA1CYP1A2CYP2A6PLK1NPC1 | |
| SCHEMBL18123540 | 0.73 | TRPA1 (0.39) | TRPA1CYP1A2CYP2A6PLK1CXCR4 | |
| SCHEMBL13754317 | 0.73 | TRPA1 (0.59) | TRPA1CYP1A2PLK1LMNAALDH1A1 | |
| SCHEMBL13754322 | 0.73 | GAA (0.43) | TRPA1CYP1A2CYP2A6PLK1LMNA | |
| SCHEMBL9329881 | 0.72 | TRPA1 (0.41) | TRPA1CYP1A2CYP2A6LMNANPC1 | |
| SCHEMBL6291618 | 0.72 | TRPA1 (0.41) | TRPA1CYP1A2CYP2A6LMNANPC1 | |
| SCHEMBL9449596 | 0.71 | TRPA1 (0.40) | TRPA1CYP1A2CYP2A6PLK1LMNA | |
| SCHEMBL13344096 | 0.71 | ESR1 (0.45) | TRPA1CYP1A2CYP2A6PLK1LMNA |
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-0300772-B1 | Catalyst for polymerization of conjugated diene and process for producing conjugated diene polymer | JAPAN SYNTHETIC RUBBER CO LTD (JP) | 1994-01-19 | — | — | EP | disclosed |