Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 15/20 | 0.42 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4264863 | 0.83 | MCHR1 (0.56) | MCHR1ASIC3TLR8TLR7 | |
| SCHEMBL4818208 | 0.79 | MCHR1 (0.48) | MCHR1ASIC3TLR8TLR7 | |
| SCHEMBL6617070 | 0.74 | NQO2 (0.38) | ALDH1A1CASP1CASP7HSD17B10TLR8 | |
| SCHEMBL4819395 | 0.72 | CYSLTR1 (0.49) | ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL5348766 | 0.71 | ACHE (0.38) | ALDH1A1CASP1CASP7HSD17B10MCHR1 | |
| SCHEMBL31453329 | 0.70 | KCNH2 (0.38) | ALDH1A1CASP1CASP7HSD17B10ASIC3 | |
| SCHEMBL3235863 | 0.70 | NCF1 (0.63) | ALDH1A1CASP1CASP7HSD17B10NQO2 | |
| SCHEMBL28476846 | 0.69 | PLAU (0.52) | ALDH1A1CASP1CASP7HSD17B10NQO2 | |
| SCHEMBL4824378 | 0.69 | KDM4E (0.54) | ALDH1A1TLR7 | |
| Hydrochloric Acid SCHEMBL30579056 | 0.68 | NCF1 (0.61) | ALDH1A1CASP1CASP7HSD17B10NQO2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7189714-B2 | N-type calcium channel antagonists for the treatment of pain | ASTRAZENECA AB (SE) | 2007-03-13 | — | — | US | disclosed |