Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30679192 | 0.82 | L3MBTL1 (0.41) | ALDH1A1MAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL29150812 | 0.75 | L3MBTL1 (0.43) | ALDH1A1MAPTL3MBTL1HPGDLMNA | |
| SCHEMBL30198171 | 0.74 | ALDH1A1 (0.53) | ALDH1A1MAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL622966 | 0.74 | ALDH1A1 (0.53) | ALDH1A1MAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL12853961 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL64363 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL19075910 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL29150861 | 0.71 | L3MBTL1 (0.48) | ALDH1A1MAPTL3MBTL1MEN1KMT2A | |
| SCHEMBL17952778 | 0.70 | IDO1 (0.43) | ALDH1A1L3MBTL1CYP17A1KDM4ECYP1A2 | |
| SCHEMBL17810094 | 0.69 | HTR7 (0.46) | ALDH1A1MAPTL3MBTL1KMT2APOLB |
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-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 |