Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29833056 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL29833014 | 0.87 | ALDH1A1 (0.43) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL28512003 | 0.81 | CYP3A4 (0.33) | CYP3A4KDM4ESLC6A2SLC6A4 | |
| SCHEMBL22840505 | 0.77 | ALDH1A1 (0.53) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL34467440 | 0.76 | CREBBP (0.42) | ALDH1A1MEN1MAPTKMT2AGAA | |
| SCHEMBL29833175 | 0.75 | ALDH1A1 (0.46) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL30682408 | 0.74 | ALDH1A1 (0.47) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL9851260 | 0.73 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL20888849 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CYP3A4MEN1MAPTTHRB | |
| SCHEMBL6868406 | 0.72 | RPS6KA2 (0.45) | ALDH1A1MAPTAOC3KDM4ESMN1; SMN2 |
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-2022199589-A1 | PYRIMIDINE DERIVATIVES | 南京明德新药研发有限公司 | 2022-09-29 | — | — | WO | disclosed |