Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1454753 | 0.80 | TRPA1 (0.44) | TRPA1TAAR1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL1454752 | 0.80 | TRPA1 (0.44) | TRPA1TAAR1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL9719434 | 0.79 | TRPA1 (0.47) | TRPA1TAAR1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL132606 | 0.79 | TRPA1 (0.47) | TRPA1TAAR1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL7808281 | 0.79 | TRPA1 (0.47) | TRPA1TAAR1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL9325711 | 0.78 | TRPA1 (0.50) | TRPA1TAAR1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL22206809 | 0.76 | TRPA1 (0.48) | TRPA1TAAR1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL21331657 | 0.76 | TRPA1 (0.50) | TRPA1TAAR1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL185170 | 0.76 | TRPA1 (0.50) | TRPA1TAAR1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL7775718 | 0.75 | TRPA1 (0.44) | TRPA1TAAR1ADRA2AADRA2CCYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6794530-B1 | 1,4-ADDITION OF MONOHYDRIC OR POLYHYDRIC ALCOHOLS TO ALPHA , BETA -UNSATURATED NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-21 | — | — | US | disclosed |
| EP-0934925-B1 | Process for the preparation of beta-alkoxy nitriles | BASF AG (DE) | 2002-09-25 | — | — | EP | disclosed |
| EP-0934925-A1 | Process for the preparation of beta-alkoxy nitriles | BASF AKTIENGESELLSCHAFT (DE) | 1999-08-11 | — | — | EP | disclosed |
| CN-1192737-A | Benzylhydroxylamines and intermediates used to prepare them | BASF AG (DE) | 1998-09-09 | — | — | CN | disclosed |