Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL900305 | 0.85 | ESR1 (0.45) | TRPA1BACE1ESR1ESR2PDK2 | |
| SCHEMBL899538 | 0.85 | ESR1 (0.60) | TRPA1ESR1ESR2PDK2POLB | |
| SCHEMBL899485 | 0.84 | PDK2 (0.47) | TRPA1BACE1ESR1ESR2PDK2 | |
| SCHEMBL383087 | 0.81 | ESR1 (0.64) | BACE1ESR1ESR2PDK2HSD17B1 | |
| SCHEMBL29587240 | 0.81 | ESR1 (0.64) | BACE1ESR1ESR2PDK2HSD17B1 | |
| SCHEMBL17192496 | 0.81 | ESR1 (0.52) | TRPA1BACE1ESR1ESR2PDK2 | |
| SCHEMBL900122 | 0.81 | PDK2 (0.45) | TRPA1ESR1ESR2PDK2POLB | |
| SCHEMBL18348575 | 0.78 | ESR1 (0.52) | ESR1ESR2PDK2POLBALDH1A1 | |
| SCHEMBL22580542 | 0.77 | ESR1 (0.57) | BACE1ESR1ESR2POLBALDH1A1 | |
| SCHEMBL899956 | 0.76 | PDK2 (0.40) | TRPA1PDK2ALDH1A1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012042058-A1 | IMPACT RESISTANCE MODIFIERS FOR EPOXY RESIN COMPOSITIONS | SIKA TECHNOLOGY AG (CH) | 2012-04-05 | — | — | WO | disclosed |