Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.45 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28417747 | 0.84 | RAB9A (0.63) | RAB9ANPC1ALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL28891024 | 0.84 | NPC1 (0.59) | RAB9ANPC1ALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL28891022 | 0.83 | RAB9A (0.67) | RAB9ANPC1ALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL28409639 | 0.82 | CYP2C19 (0.62) | RAB9ANPC1ALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL28417795 | 0.81 | RAB9A (0.64) | RAB9ANPC1ALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL28412748 | 0.80 | ALDH1A1 (0.57) | RAB9ANPC1ALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL28415518 | 0.80 | CA2 (0.64) | RAB9ANPC1ALDH1A1HSD17B10CA2 | |
| SCHEMBL28419435 | 0.80 | KMT2A (0.63) | RAB9ANPC1ALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL28412742 | 0.79 | MAPT (0.57) | RAB9ANPC1ALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL28415513 | 0.76 | ABCC8 (0.56) | RAB9ANPC1ALDH1A1SMN1; SMN2MEN1 |
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-108117530-B | Propionamide thioether and sulfone derivatives and application thereof | 贵州大学 | 2020-06-19 | — | — | CN | disclosed |