Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 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 | |
|---|---|---|---|---|
| SCHEMBL8963285 | 0.81 | TRPA1 (0.43) | TRPA1BACE1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL444673 | 0.77 | TRPA1 (0.48) | TRPA1BACE1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL15591097 | 0.74 | BACE1 (0.46) | TRPA1BACE1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL10732579 | 0.74 | BACE1 (0.46) | TRPA1BACE1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL19479670 | 0.74 | NOS3 (0.42) | TRPA1CYP1A2CYP2A6ALDH1A1NPC1 | |
| SCHEMBL25483179 | 0.74 | TRPA1 (0.41) | TRPA1CYP1A2CYP2A6ALDH1A1NPC1 | |
| SCHEMBL5050079 | 0.73 | TRPA1 (0.44) | TRPA1BACE1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL5498171 | 0.73 | TRPA1 (0.44) | TRPA1BACE1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL2863264 | 0.73 | TRPA1 (0.44) | TRPA1BACE1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL720756 | 0.73 | TRPA1 (0.44) | TRPA1BACE1CYP1A2CYP2A6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5481049-A | REACTING CONJUGATED DIENE AND WATER IN PRESENCE OF CARBON DIOXIDE, USING PALLADIUM COMPOUND AND A FREE PHOSPHINE AS CATALYSTS | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-01-02 | — | — | US | disclosed |
| CN-1096286-A | The method for preparing the alkadiene alcohol compound | MITSUBISHI CHEM IND (JP) | 1994-12-14 | — | — | CN | disclosed |