Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | AGER | Q15109 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14991215 | 0.83 | MEN1 (0.34) | MEN1KMT2A | |
| SCHEMBL4757145 | 0.79 | CYP2C9 (0.54) | CYP2C9ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL14976423 | 0.78 | MEN1 (0.33) | MEN1KMT2A | |
| SCHEMBL18954292 | 0.76 | CYP2C9 (0.56) | CYP2C9ALDH1A1MEN1KMT2AAIMP2 | |
| SCHEMBL11556453 | 0.73 | CYP2C9 (0.52) | CYP2C9MAPTMEN1KMT2AL3MBTL1 | |
| SCHEMBL8444430 | 0.72 | CYP2C9 (0.51) | CYP2C9ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4755281 | 0.72 | CYP2C9 (0.46) | CYP2C9ALDH1A1MAPTKMT2ALMNA | |
| SCHEMBL28949326 | 0.71 | CYP2C9 (0.40) | CYP2C9ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL29903842 | 0.70 | CYP2C9 (0.45) | CYP2C9ALDH1A1MAPTKMT2ALMNA | |
| SCHEMBL18954332 | 0.66 | CYP2C9 (0.47) | CYP2C9ALDH1A1LMNAL3MBTL1CYP3A4 |
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-115697978-A | Method for preparing methyl {4,6-diamino-2- [ 5-fluoro-1- (2-fluorobenzyl) -1H-pyrazolo [3,4-b ] pyridin-3-yl ] pyrimidin-5-yl } carbamate | 阿德弗里奥药品有限责任公司 | 2023-02-03 | — | — | CN | disclosed |