Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13824679 | 0.91 | TRPA1 (0.42) | TRPA1ATMACHECYP1A2CYP2A6 | |
| Bromide SCHEMBL26115689 | 0.89 | TRPA1 (0.41) | TRPA1ATMACHECYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL11681962 | 0.89 | TRPA1 (0.41) | TRPA1ATMACHECYP1A2CYP2A6 | |
| SCHEMBL11522076 | 0.83 | ACHE (0.42) | ACHECYP2A6CYP3A4TSHRSMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL29141774 | 0.81 | ACHE (0.41) | ACHECYP3A4TSHRCA1CA2 | |
| SCHEMBL4113607 | 0.80 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL28772799 | 0.79 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL11526486 | 0.77 | TAS2R14 (0.38) | ACHE | |
| SCHEMBL31619912 | 0.76 | ACHE (0.39) | TRPA1ATMACHECYP1A2CYP2A6 | |
| SCHEMBL27322547 | 0.74 | ACHE (0.37) | TRPA1ATMACHECYP1A2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012150281-A1 | PREPARATION OF 3,3-DIALKXOY-1-METHYLENEPROPYL ARENES | LONZA LTD (CH) | 2012-11-08 | — | — | WO | disclosed |
| WO-2012150280-A2 | PREPARATION OF 4,4-DIALKOXY-1-BUTEN-1-YLARENES | LONZA LTD (CH) | 2012-11-08 | — | — | WO | disclosed |