Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | PROKR1 | Q8TCW9 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | WNT1 | P04628 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16635418 | 0.80 | TRPA1 (0.42) | TRPA1PIK3R1CCNA2CDK2CCNA1 | |
| SCHEMBL16635362 | 0.76 | TRPA1 (0.46) | TRPA1ARKDM4EMAPTSCN10A | |
| SCHEMBL16635293 | 0.76 | AR (0.43) | TRPA1ARKDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL17959625 | 0.75 | TRPA1 (0.45) | TRPA1ARKDM4EMAPTSCN10A | |
| SCHEMBL28017904 | 0.74 | HRH4 (0.43) | TRPA1KDM4EMAPT | |
| SCHEMBL28864068 | 0.71 | CYP46A1 (0.40) | TRPA1KDM4EMAPTCYP1A2CYP3A4 | |
| SCHEMBL9900024 | 0.70 | SCN10A (0.35) | TRPA1KDM4EMAPTCYP1A2CYP3A4 | |
| SCHEMBL15033706 | 0.69 | AR (0.34) | TRPA1ARKDM4EMAPTSCN10A | |
| SCHEMBL30834536 | 0.67 | NNMT (0.46) | PIK3R1CYP1A2CYP3A4LRRK2 | |
| SCHEMBL11916195 | 0.67 | CYP1A2 (0.44) | PIK3R1CYP1A2CYP3A4LRRK2 |
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-105612153-A | Substituted sulfonamide compounds as TRPA1 conditioner | HOFFMANN LA ROCHE | 2016-05-25 | — | — | CN | disclosed |