Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | KCNB1 | Q14721 | 8/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | CTSA | P10619 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28405984 | 1.00 | PDPK1 (0.51) | PDPK1SLC6A4SLC6A3LOXL2CYP2A6 | |
| SCHEMBL5888543 | 1.00 | PDPK1 (0.51) | PDPK1SLC6A4SLC6A3LOXL2CYP2A6 | |
| SCHEMBL13801391 | 0.87 | PDPK1 (0.55) | PDPK1LOXL2CYP2A6KCNB1KCNA5 | |
| SCHEMBL27992983 | 0.84 | PDPK1 (0.51) | PDPK1LOXL2CYP2A6KCNB1KCNA5 | |
| SCHEMBL21778112 | 0.82 | LOXL2 (0.51) | PDPK1LOXL2CYP2A6KCNB1KCNA5 | |
| SCHEMBL24227164 | 0.82 | PDPK1 (0.49) | PDPK1LOXL2CYP2A6KCNB1KCNA5 | |
| SCHEMBL24721069 | 0.80 | PDPK1 (0.54) | PDPK1SLC6A4SLC6A3LOXL2CYP2A6 | |
| SCHEMBL15805858 | 0.79 | PDPK1 (0.72) | PDPK1LOXL2CYP2A6ADRB2NTRK1 | |
| SCHEMBL20545938 | 0.76 | CTSA (0.57) | CTSA | |
| SCHEMBL20545939 | 0.76 | CTSA (0.57) | CTSA |
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-108929263-B | Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-07-22 | — | — | CN | disclosed |