Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8886419 | 0.74 | TRPA1 (0.47) | TRPA1ATMALDH1A1HSD17B10ESR1 | |
| SCHEMBL10950619 | 0.73 | ALDH1A1 (0.41) | TRPA1ATMALDH1A1HSD17B10ESR1 | |
| SCHEMBL2175294 | 0.73 | TRPA1 (0.48) | TRPA1ATMALDH1A1GABRA1GABRB2 | |
| SCHEMBL989764 | 0.72 | TRPA1 (0.38) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL3042245 | 0.72 | CYP1A2 (0.38) | TRPA1ATMALDH1A1HPGDCYP1A2 | |
| SCHEMBL7897319 | 0.72 | ALDH1A1 (0.46) | TRPA1ATMALDH1A1HSD17B10KDM4E | |
| SCHEMBL9694930 | 0.71 | TRPA1 (0.37) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL28634226 | 0.71 | TRPA1 (0.38) | TRPA1ATMALDH1A1HPGDESR1 | |
| SCHEMBL10696455 | 0.70 | TRPA1 (0.44) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL29776862 | 0.70 | TRPA1 (0.44) | TRPA1ATMALDH1A1CYP1A2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009027541-A2 | OXYGEN COMPOUNDS OF THE BORON GROUP | CHEMETALL GMBH (DE) | 2009-03-05 | — | — | WO | disclosed |