Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | PGK1 | P00558 | 1/20 | 0.34 |
| ▸ | PGK2 | P07205 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13958492 | 0.87 | ACHE (0.50) | LMNA | |
| SCHEMBL27557391 | 0.84 | SLC6A3 (0.38) | LMNAHDAC8HDAC4HDAC2ADRA2A | |
| SCHEMBL18426652 | 0.84 | ALDH1A1 (0.43) | — | |
| SCHEMBL22940350 | 0.84 | LMNA (0.35) | LMNAHDAC8HDAC4HDAC2ADRA2A | |
| SCHEMBL12735693 | 0.84 | AOC3 (0.45) | LMNAOPRM1 | |
| SCHEMBL20032392 | 0.84 | CYP3A4 (0.46) | LMNAADRA2AADRA2BADRA2C | |
| SCHEMBL2383072 | 0.84 | HIF1A (0.53) | LMNAHDAC8HDAC4HDAC2ADRA2A | |
| SCHEMBL10311198 | 0.84 | AOC3 (0.45) | HDAC4 | |
| SCHEMBL1343732 | 0.80 | PTGS1 (0.56) | LMNAADRA2BESR1HIF1A | |
| SCHEMBL3629512 | 0.80 | PTGS1 (0.56) | LMNAADRA2BESR1HIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117510317-A | Method for preparing m-diacyl benzene | 万华化学集团股份有限公司 | 2024-02-06 | — | — | CN | disclosed |
| WO-2024017392-A1 | PYRIMIDINE RING COMPOUND, INTERMEDIATE THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海医药集团股份有限公司 | 2024-01-25 | — | — | WO | disclosed |
| WO-2023217201-A2 | NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF | 杭州德睿智药科技有限公司 | 2023-11-16 | — | — | WO | disclosed |