Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL29833489 | 0.87 | ALDH1A1 (0.43) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL29833056 | 0.87 | ALDH1A1 (0.43) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL2850957 | 0.81 | SLC6A2 (0.35) | ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4433919 | 0.81 | SLC6A4 (0.38) | MAPTKMT2AGAACYP3A4SLC6A2 | |
| Hydrochloric Acid SCHEMBL11158439 | 0.78 | AOC3 (0.48) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL24662564 | 0.77 | ALDH1A1 (0.53) | ALDH1A1MEN1MAPTTHRBKMT2A | |
| SCHEMBL29833050 | 0.75 | POLB (0.53) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL29833314 | 0.74 | MAPT (0.46) | ALDH1A1MAPTKDM4EGAAAOC3 | |
| SCHEMBL14320337 | 0.74 | MAPT (0.46) | ALDH1A1MAPTKDM4EGAAAOC3 | |
| SCHEMBL8445623 | 0.73 | ALDH1A1 (0.48) | ALDH1A1MEN1MAPTTHRBKMT2A |
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 |