Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL828123 | 1.00 | NCF1 (0.50) | NCF1KDM4EALDH1A1MAPTMEN1 | |
| Iodomethane SCHEMBL11423859 | 0.94 | LRRK2 (0.46) | NCF1KDM4EALDH1A1MAPTMEN1 | |
| Quinoline SCHEMBL28074108 | 0.89 | ALDH1A1 (0.57) | NCF1KDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL566054 | 0.86 | MAPT (0.52) | KDM4EALDH1A1MAPTMEN1HPGD | |
| SCHEMBL15947627 | 0.83 | NCF1 (0.54) | NCF1KDM4EALDH1A1MAPTMEN1 | |
| Quinoline SCHEMBL28251318 | 0.82 | ALDH1A1 (0.57) | KDM4EALDH1A1MAPTMEN1HPGD | |
| SCHEMBL29077121 | 0.80 | ALDH1A1 (0.47) | NCF1KDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL736202 | 0.79 | NCF1 (0.50) | NCF1KDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL21858489 | 0.79 | NCF1 (0.50) | NCF1KDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL3090736 | 0.79 | NCF1 (0.50) | NCF1KDM4EALDH1A1MAPTMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120028308-A | Small molecule Raman probe, bar code probe, encoding method and application thereof | 北京大学 | 2025-05-23 | — | — | CN | disclosed |
| WO-2024026423-A1 | SUBSTITUTED QUINOLINE DERIVATIVES AS PI3K INHIBITORS | BLACK DIAMOND THERAPEUTICS, INC. (US) | 2024-02-01 | — | — | WO | disclosed |
| WO-2022083731-A1 | FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2022-04-28 | — | — | WO | disclosed |