Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTR4 | Q13639 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL31258473 | 1.00 | KDM4E (0.44) | KDM4EALDH1A1CFTRPOLBHTR4 | |
| SCHEMBL23698825 | 0.83 | CFTR (0.39) | KDM4EALDH1A1CFTRPOLBHTR4 | |
| SCHEMBL28947251 | 0.83 | KDM4E (0.44) | KDM4EALDH1A1POLBHTR4ACHE | |
| SCHEMBL31115435 | 0.83 | KDM4E (0.44) | KDM4EALDH1A1POLBHTR4ACHE | |
| SCHEMBL31417732 | 0.78 | KDM4E (0.44) | KDM4EALDH1A1CFTRPOLBHTR4 | |
| SCHEMBL5042523 | 0.78 | HTR4 (0.54) | KDM4EALDH1A1HTR4ACHEHTR1A | |
| SCHEMBL24104578 | 0.77 | CFTR (0.39) | KDM4EALDH1A1CFTRPOLBHTR4 | |
| SCHEMBL30077253 | 0.74 | LMNA (0.42) | KDM4E | |
| SCHEMBL30077232 | 0.74 | LMNA (0.42) | KDM4E | |
| SCHEMBL10320877 | 0.72 | KDM4E (0.48) | KDM4EALDH1A1CFTRHTR4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115697994-B | Fused quinazoline derivative, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2024-08-13 | — | — | CN | disclosed |
| WO-2023185793-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2023-10-05 | — | — | WO | disclosed |