Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.35 |
| ▸ | CASR | P41180 | 3/20 | 0.34 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL18109389 | 1.00 | ALDH1A1 (0.36) | ALDH1A1NPC1GAARAB9ASMN1; SMN2 | |
| SCHEMBL29221281 | 0.82 | SMN1; SMN2 (0.42) | ALDH1A1NPC1GAARAB9ASMN1; SMN2 | |
| SCHEMBL18125214 | 0.82 | SMN1; SMN2 (0.42) | ALDH1A1NPC1GAARAB9ASMN1; SMN2 | |
| SCHEMBL9109553 | 0.74 | MEN1 (0.34) | ALDH1A1HCRTR1HCRTR2AR | |
| SCHEMBL9955174 | 0.74 | MEN1 (0.34) | ALDH1A1HCRTR1HCRTR2AR | |
| SCHEMBL9955172 | 0.74 | MEN1 (0.34) | ALDH1A1HCRTR1HCRTR2AR | |
| SCHEMBL931761 | 0.74 | MEN1 (0.34) | ALDH1A1HCRTR1HCRTR2AR | |
| SCHEMBL931762 | 0.74 | MEN1 (0.34) | ALDH1A1HCRTR1HCRTR2AR | |
| SCHEMBL9908773 | 0.74 | MEN1 (0.34) | ALDH1A1HCRTR1HCRTR2AR | |
| SCHEMBL29221256 | 0.73 | KDM1A (0.34) | ALDH1A1GAA |
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-107108615-A | Toll-like receptor modulating 4, 6-diamino-pyrido [3,2-D ] pyrimidine compounds | 吉利德科学公司 | 2017-08-29 | — | — | CN | disclosed |