Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | CDC25A | P30304 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.45 |
| ▸ | CDC25C | P30307 | 1/20 | 0.45 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.45 |
| ▸ | CCNC | P24863 | 2/20 | 0.44 |
| ▸ | CDK8 | P49336 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29150813 | 0.79 | KDM4E (0.44) | CYP1A2CYP2C9CYP2C19KDM4ESLC6A4 | |
| SCHEMBL29150809 | 0.79 | SCN9A (0.44) | CYP1A2CYP2D6CYP2C19ADORA1KDM4E | |
| SCHEMBL29150859 | 0.75 | CYP11B2 (0.46) | CYP11B2GAATP53MAPT | |
| SCHEMBL29150812 | 0.74 | L3MBTL1 (0.43) | KDM4EALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL27864700 | 0.71 | CDC25A (0.55) | CYP11B1CYP11B2CYP19A1CDC25ACDC25B | |
| SCHEMBL19910986 | 0.71 | CYP11B1 (0.64) | CYP11B1CYP11B2CYP1A2CYP19A1CDC25A | |
| SCHEMBL28315974 | 0.70 | DHFR (0.49) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7036549 | 0.69 | HPGD (0.44) | CYP1A2CYP2C9CYP2C19ADORA2AADORA1 | |
| SCHEMBL19910992 | 0.69 | CYP11B1 (0.62) | CYP11B1CYP11B2CYP1A2CYP19A1CDC25A | |
| SCHEMBL29501876 | 0.69 | CYP11B1 (0.74) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 |
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-117143017-B | Method for constructing isoquinoline compound based on aryl migration strategy, hole transport material molecule and preparation method thereof, perovskite solar cell and preparation method thereof | 广东工业大学 | 2026-05-19 | — | — | CN | disclosed |
| CN-117143017-A | Method for constructing isoquinoline compound based on aryl migration strategy, hole transport material molecule and preparation method thereof, perovskite solar cell and preparation method thereof | 广东工业大学 | 2023-12-01 | — | — | CN | disclosed |