Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29168183 | 1.00 | PPARG (0.38) | PPARGPPARANPC1RAB9APKM | |
| SCHEMBL29168050 | 0.81 | ANO1 (0.39) | PPARGPPARANPC1RAB9ALMNA | |
| SCHEMBL29168316 | 0.79 | PNMT (0.42) | IDO1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL29168317 | 0.79 | PNMT (0.42) | IDO1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL29168197 | 0.75 | LMNA (0.36) | PPARGPPARANPC1RAB9APKM | |
| SCHEMBL29168198 | 0.75 | LMNA (0.36) | PPARGPPARANPC1RAB9APKM | |
| SCHEMBL29168307 | 0.75 | PARP10 (0.31) | — | |
| SCHEMBL29168305 | 0.75 | PARP10 (0.31) | — | |
| SCHEMBL23347648 | 0.72 | NPC1 (0.44) | PPARGPPARANPC1RAB9APKM | |
| SCHEMBL19254234 | 0.72 | NPC1 (0.44) | PPARGPPARANPC1RAB9APKM |
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 |