Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | MPL | P40238 | 2/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | MAT2A | P31153 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19927770 | 1.00 | BACE1 (0.42) | BACE1TRPA1ALOX5APFEN1DHFR | |
| SCHEMBL22323484 | 0.82 | RPS6KA3 (0.41) | BACE1TRPA1ALDH1A1KDM4EKMT2A | |
| SCHEMBL19968786 | 0.80 | BACE1 (0.44) | BACE1TRPA1MPLPTPN1ALDH1A1 | |
| SCHEMBL23770761 | 0.79 | TRPA1 (0.34) | BACE1TRPA1MPOPTPN1 | |
| SCHEMBL22117188 | 0.77 | BACE1 (0.44) | BACE1MPLALDH1A1KDM4EKMT2A | |
| SCHEMBL24360872 | 0.77 | BACE1 (0.48) | BACE1ATRALDH1A1KDM4EHSD17B10 | |
| SCHEMBL22323478 | 0.77 | BACE1 (0.42) | BACE1MPLPTPN1ALDH1A1KDM4E | |
| SCHEMBL28295774 | 0.76 | ADRA1A (0.43) | TRPA1ALDH1A1CYP1A2CYP3A4ALOX15 | |
| SCHEMBL22323259 | 0.75 | CYP1A2 (0.43) | BACE1MPLALDH1A1KDM4EKMT2A | |
| SCHEMBL19968792 | 0.73 | MPL (0.44) | BACE1MPLPTPN1ALDH1A1KDM4E |
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-109641873-B | N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease | 诺华股份有限公司 | 2022-03-18 | — | — | CN | disclosed |