Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 4/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26619772 | 1.00 | ATR (0.44) | ATRHDAC3HDAC2NTRK1FEN1 | |
| SCHEMBL30670376 | 0.86 | ATR (0.37) | ATRPIK3CAKCNH2 | |
| SCHEMBL30515671 | 0.82 | DRD4 (0.39) | ATRALDH1A1HTR1ASLC6A4HTT | |
| SCHEMBL26619924 | 0.82 | DRD4 (0.39) | ATRALDH1A1HTR1ASLC6A4HTT | |
| SCHEMBL26619984 | 0.80 | CKS1B (0.47) | PIK3CA | |
| SCHEMBL26620001 | 0.74 | ROCK1 (0.48) | — | |
| SCHEMBL31388433 | 0.74 | ROCK1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL31388444 | 0.74 | ROCK1 (0.47) | — | |
| SCHEMBL30718206 | 0.71 | CHRNB2 (0.51) | FEN1ALDH1A1USP2CYP1A2CYP3A4 | |
| SCHEMBL27029510 | 0.71 | CHRNB2 (0.51) | FEN1ALDH1A1USP2CYP1A2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120053452-A | New application of 2, 4-disubstituted-5-fluoropyrimidine derivative | 长沙晶易医药科技股份有限公司 | 2025-05-30 | — | — | CN | claimed |
| CN-116514779-A | 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof | 中南大学 | 2023-08-01 | — | — | CN | claimed |
| CN-120053452-A | New application of 2, 4-disubstituted-5-fluoropyrimidine derivative | 长沙晶易医药科技股份有限公司 | 2025-05-30 | — | — | CN | disclosed |
| CN-116514779-A | 2, 4-disubstituted-5-fluoropyrimidine derivative and preparation method and application thereof | 中南大学 | 2023-08-01 | — | — | CN | disclosed |