Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13754317 | 0.83 | TRPA1 (0.59) | TRPA1GAACA1CA2CA4 | |
| SCHEMBL20224598 | 0.82 | GAA (0.53) | TRPA1GAAMEN1KMT2ACA1 | |
| SCHEMBL27345324 | 0.82 | TRPA1 (0.57) | TRPA1GAAMEN1KMT2ACA1 | |
| SCHEMBL25665126 | 0.80 | TRPA1 (0.43) | TRPA1GAAMAPTTP53CYP1A2 | |
| SCHEMBL14494222 | 0.79 | GAA (0.42) | TRPA1GAAMEN1KMT2ACA1 | |
| SCHEMBL92190 | 0.77 | POLB (0.62) | TRPA1GAAMEN1KMT2ACA1 | |
| SCHEMBL19005972 | 0.77 | GAA (0.71) | GAAMEN1KMT2ACA1CA2 | |
| SCHEMBL13344096 | 0.77 | ESR1 (0.45) | TRPA1MEN1KMT2AMAPTCYP1A2 | |
| SCHEMBL9449596 | 0.77 | TRPA1 (0.40) | TRPA1GAAMAPTCYP1A2MAPK1 | |
| SCHEMBL22474134 | 0.75 | PRKCI (0.47) | TRPA1GAAMAPTCYP1A2ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8444709-B2 | Oxidative dyeing compositions comprising an 1-hexyl/heptyl-4,5-diaminopyrazole and a 2-aminophenol and derivatives thereof | THE PROCTER & GAMBLE COMPANY (US) | 2013-05-21 | — | — | US | disclosed |
| EP-1771453-B1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |