Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL8740212 | 0.83 | ALDH1A1 (0.52) | TRPA1ATMGABRA1GABRB2ALDH1A1 | |
| SCHEMBL2270593 | 0.81 | TRPA1 (0.43) | TRPA1ATMGABRA1GABRB2ALDH1A1 | |
| SCHEMBL28921494 | 0.78 | TRPA1 (0.40) | TRPA1ATMGABRA1GABRB2ALDH1A1 | |
| SCHEMBL29651139 | 0.78 | TRPA1 (0.40) | TRPA1ATMGABRA1GABRB2ALDH1A1 | |
| SCHEMBL2808073 | 0.77 | ALDH1A1 (0.61) | ATMGABRA1GABRB2ALDH1A1ALOX15 | |
| SCHEMBL28186985 | 0.76 | ATM (0.39) | TRPA1ATMGABRA1GABRB2ALDH1A1 | |
| SCHEMBL2422395 | 0.76 | TRPA1 (0.52) | TRPA1ATMGABRA1GABRB2ALDH1A1 | |
| SCHEMBL29764509 | 0.76 | ALDH1A1 (0.48) | ATMGABRA1GABRB2ALDH1A1ALOX15 | |
| SCHEMBL3167832 | 0.75 | GABRA1 (0.60) | TRPA1ATMGABRA1GABRB2ALDH1A1 | |
| SCHEMBL9065287 | 0.75 | TRPA1 (0.50) | TRPA1ATMGABRA1GABRB2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107428648-A | Method for preparing such as compound of 3 aryl butyraldehyde that can be used for synthesis Medetomidine | 坎布雷卡尔斯库加公司 | 2017-12-01 | — | — | CN | disclosed |