Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | SOD1 | P00441 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL8750429 | 0.83 | TRPA1 (0.40) | TRPA1AKT1BACE1POLBGPR84 | |
| SCHEMBL8750671 | 0.82 | TDP1 (0.42) | TRPA1AKT1BACE1POLBGPR84 | |
| SCHEMBL444673 | 0.80 | TRPA1 (0.48) | TRPA1AKT1BACE1POLBALDH1A1 | |
| SCHEMBL606251 | 0.77 | TRPA1 (0.46) | TRPA1AKT1BACE1POLBALDH1A1 | |
| SCHEMBL5050079 | 0.76 | TRPA1 (0.44) | TRPA1AKT1BACE1ALDH1A1CYP1A2 | |
| Ethylene SCHEMBL27875997 | 0.76 | TRPA1 (0.44) | TRPA1AKT1BACE1POLBALDH1A1 | |
| Formic Acid SCHEMBL28752897 | 0.75 | TRPA1 (0.45) | TRPA1AKT1BACE1POLBGPR84 | |
| SCHEMBL8384809 | 0.74 | TRPA1 (0.43) | TRPA1AKT1BACE1POLBALDH1A1 | |
| SCHEMBL1411710 | 0.74 | GABRA1 (0.46) | ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL11786079 | 0.73 | LPL (0.46) | TRPA1POLBALDH1A1CYP2A6SMN1; SMN2 |
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-1366006-A1 | PROCESS FOR PREPARING PHENOLS | INEOS Phenol GmbH & Co. KG (DE) | 2003-12-03 | — | — | EP | disclosed |
| WO-2002070442-A1 | PROCESS FOR PREPARING PHENOLS | INEOS PHENOL GMBH & CO. KG (DE) | 2002-09-12 | — | — | WO | disclosed |