Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.40 |
| ▸ | KLK7 | P49862 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22424073 | 0.89 | CA12 (0.47) | ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL2798487 | 0.81 | CYP3A4 (0.47) | ALDH1A1CYP3A4CYP2D6CYP2C19KMT2A | |
| SCHEMBL12154085 | 0.77 | KMT2A (0.50) | ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL14180879 | 0.77 | KMT2A (0.50) | ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL27358871 | 0.77 | CYP3A4 (0.48) | ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL22410919 | 0.74 | NPSR1 (0.39) | ALDH1A1CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL29069352 | 0.73 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL28633131 | 0.73 | SMN1; SMN2 (0.51) | ALDH1A1CYP3A4CYP2D6CYP2C19KMT2A | |
| SCHEMBL21209154 | 0.72 | SIGMAR1 (0.49) | ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL17695118 | 0.72 | SIGMAR1 (0.49) | ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E |
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-113710667-A | Fused cyclic pyrimidinone derivatives for the treatment of HBV infection or HBV induced diseases | 爱尔兰詹森科学公司 | 2021-11-26 | — | — | CN | disclosed |