Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28370028 | 0.79 | KEAP1 (0.58) | HKDC1CA12CA9L3MBTL1ALDH1A1 | |
| SCHEMBL30083688 | 0.79 | KEAP1 (0.58) | HKDC1CA12CA9L3MBTL1ALDH1A1 | |
| SCHEMBL7572644 | 0.78 | MEN1 (0.39) | HKDC1ALDH1A1MEN1KMT2AKEAP1 | |
| SCHEMBL30667707 | 0.77 | CA12 (0.58) | CYP1A2CYP3A4CA12ATMCA9 | |
| SCHEMBL28439931 | 0.76 | CHAT (0.43) | HKDC1CA12CA9ALDH1A1KEAP1 | |
| SCHEMBL30667700 | 0.75 | ALDH1A1 (0.58) | CYP1A2CYP3A4CA12ATMCA9 | |
| SCHEMBL19636715 | 0.75 | MEN1 (0.68) | HKDC1CYP1A2CYP3A4CA12ATM | |
| SCHEMBL30725827 | 0.74 | CYP19A1 (0.52) | CYP1A2CYP3A4CA12ATMCA9 | |
| SCHEMBL14061790 | 0.73 | C5AR1 (0.45) | HKDC1CA12CA9L3MBTL1ALDH1A1 | |
| SCHEMBL19466252 | 0.72 | ALDH1A1 (0.61) | CYP1A2CYP3A4CA12ATMCA9 |
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-117186007-A | Condensed ring hydrogenated isoquinoline compound and preparation method and application thereof | 中南民族大学 | 2023-12-08 | — | — | CN | disclosed |