Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.53 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28242968 | 0.82 | TRPA1 (0.56) | TRPA1HTR7PKMMEN1KMT2A | |
| SCHEMBL16647953 | 0.78 | MAPT (0.51) | TRPA1PKMLMNAL3MBTL1MAPT | |
| SCHEMBL17959573 | 0.78 | MAPT (0.51) | TRPA1PKMLMNAL3MBTL1MAPT | |
| SCHEMBL16648073 | 0.77 | TRPA1 (0.48) | TRPA1LMNAL3MBTL1MAPT | |
| SCHEMBL16648038 | 0.76 | MMP1 (0.53) | TRPA1PKMLMNAALDH1A1TSHR | |
| SCHEMBL10067927 | 0.76 | TRPA1 (0.66) | TRPA1HTR7KMT2ALMNAALDH1A1 | |
| SCHEMBL28242977 | 0.74 | TRPA1 (0.68) | TRPA1HTR7PKMHTTLMNA | |
| SCHEMBL27828550 | 0.73 | TRPA1 (0.61) | TRPA1HTR7HTTLMNAALDH1A1 | |
| SCHEMBL16635434 | 0.73 | ALDH1A1 (0.59) | TRPA1HTTLMNAALDH1A1TSHR | |
| SCHEMBL15832928 | 0.73 | ALDH1A1 (0.59) | TRPA1HTTLMNAALDH1A1TSHR |
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-2016128529-A1 | 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-08-18 | — | — | WO | disclosed |