Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.35 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| SCHEMBL29168316 | 0.82 | PNMT (0.42) | HCAR2PNMT | |
| SCHEMBL29168317 | 0.82 | PNMT (0.42) | HCAR2PNMT | |
| SCHEMBL29168050 | 0.81 | ANO1 (0.39) | ANO1MAPTSCN9AHPGDSLC16A3 | |
| SCHEMBL29168233 | 0.79 | SCN9A (0.35) | MAPTSCN9AHPGDCYP2C19 | |
| SCHEMBL29168017 | 0.77 | CTSL (0.54) | CTSLMAPTSCN9AHPGDALOX15 | |
| SCHEMBL30818180 | 0.77 | CTSL (0.54) | CTSLMAPTSCN9AHPGDALOX15 | |
| SCHEMBL30133665 | 0.77 | CTSL (0.54) | CTSLMAPTSCN9AHPGDALOX15 | |
| SCHEMBL29168113 | 0.73 | CTSL (0.44) | CTSLANO1MAPTSCN9APNMT | |
| SCHEMBL28076433 | 0.73 | MAPT (0.46) | MAPTHPGDALOX15CHRNA1CHRNG | |
| SCHEMBL29168029 | 0.72 | SCN9A (0.44) | CTSLANO1MAPTSCN9APNMT |
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-117529476-A | Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments | 亚飞络思制药公司 | 2024-02-06 | — | — | CN | disclosed |