Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | ANO1 | Q5XXA6 | 3/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL28529040 | 0.83 | SCN9A (0.53) | PPARGPPARASCN9AALDH1A1HPGD | |
| SCHEMBL29168241 | 0.82 | PPARG (0.43) | PPARGPPARAALDH1A1POLBMAOB | |
| SCHEMBL29168242 | 0.82 | PPARG (0.43) | PPARGPPARAALDH1A1POLBMAOB | |
| SCHEMBL29168078 | 0.80 | PPARG (0.41) | PPARGPPARAANO1SCN9AALDH1A1 | |
| SCHEMBL29168029 | 0.80 | SCN9A (0.44) | PPARGPPARAANO1SCN9AMAOB | |
| SCHEMBL28506240 | 0.77 | POLB (0.33) | SCN9APOLB | |
| SCHEMBL29168226 | 0.77 | POLB (0.33) | SCN9APOLB | |
| SCHEMBL29229250 | 0.75 | PPARA (0.42) | PPARGPPARASCN9AALDH1A1HPGD | |
| SCHEMBL25255205 | 0.75 | JAK3 (0.54) | SCN9ACTSK | |
| SCHEMBL25255207 | 0.75 | JAK3 (0.54) | SCN9ACTSK |
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 |