Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | COMT | P21964 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.33 |
| ▸ | TAB1 | Q15750 | 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 | |
|---|---|---|---|---|
| SCHEMBL29195175 | 1.00 | ALDH1A1 (0.46) | ALDH1A1COMTBRD4HPGDKDM4E | |
| SCHEMBL16340758 | 0.83 | COMT (0.46) | ALDH1A1COMTBRD4HPGDSMN1; SMN2 | |
| SCHEMBL25406827 | 0.83 | ADORA2A (0.37) | ALDH1A1KDM4ERPS6KA5IRAK4BRAF | |
| SCHEMBL30606259 | 0.83 | ADORA2A (0.37) | ALDH1A1KDM4ERPS6KA5IRAK4BRAF | |
| SCHEMBL30911867 | 0.75 | MEN1 (0.34) | ALDH1A1MEN1KMT2ASMN1; SMN2MTOR | |
| SCHEMBL16320548 | 0.70 | ALDH1A1 (0.49) | ALDH1A1COMTBRD4HPGDKDM4E | |
| SCHEMBL2190600 | 0.70 | CYP2C9 (0.42) | ALDH1A1KDM4EMEN1NOS3NOS1 | |
| SCHEMBL27754726 | 0.70 | HSP90AA1 (0.42) | KDM4EMEN1NOS3NOS1NOS2 | |
| SCHEMBL28335609 | 0.69 | CYP1A2 (0.60) | ALDH1A1NOS3NOS1NOS2SMN1; SMN2 | |
| SCHEMBL20936832 | 0.69 | ALDH1A1 (0.44) | ALDH1A1COMTBRD4NOS3NOS2 |
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-117865939-A | Aminopyrimidine derivative inhibitor, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-04-12 | — | — | CN | disclosed |