Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155539 | 0.80 | GAA (0.40) | ALDH1A1SOS1GAAKDM4ENPC1 | |
| SCHEMBL20155496 | 0.76 | SOS1 (0.42) | ALDH1A1SOS1CYP2D6CYP2C19GAA | |
| SCHEMBL20155657 | 0.74 | ATM (0.54) | ALDH1A1SOS1NPC1NFKB1RAB9A | |
| SCHEMBL29581577 | 0.74 | ALDH1A1 (0.47) | ALDH1A1SOS1CYP2D6CYP2C19GAA | |
| SCHEMBL3606443 | 0.74 | ALDH1A1 (0.47) | ALDH1A1SOS1CYP2D6CYP2C19GAA | |
| SCHEMBL29454228 | 0.73 | SOS1 (0.39) | ALDH1A1SOS1CYP2D6CYP2C19GAA | |
| SCHEMBL22231787 | 0.73 | SOS1 (0.39) | ALDH1A1SOS1CYP2D6CYP2C19GAA | |
| SCHEMBL31723198 | 0.73 | SOS1 (0.39) | ALDH1A1SOS1CYP2D6CYP2C19GAA | |
| SCHEMBL16396266 | 0.72 | SOS1 (0.48) | ALDH1A1SOS1CYP2D6CYP2C19GAA | |
| SCHEMBL28924001 | 0.72 | SOS1 (0.63) | ALDH1A1SOS1CYP2D6CYP2C19GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |