Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | KLK7 | P49862 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.50 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7114819 | 0.84 | KDM4E (0.64) | KDM4EALDH1A1HPGDHSD17B10KLK7 | |
| SCHEMBL20605347 | 0.82 | ALDH1A1 (0.53) | KDM4EALDH1A1HPGDHSD17B10KLK7 | |
| SCHEMBL16655571 | 0.80 | ALDH1A1 (0.50) | KDM4EALDH1A1HPGDHSD17B10KLK7 | |
| SCHEMBL28662303 | 0.78 | CYP2A13 (0.59) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL5269119 | 0.77 | KDM4E (0.56) | KDM4EALDH1A1HPGDHSD17B10KLK7 | |
| SCHEMBL28195866 | 0.76 | HTR7 (0.69) | ALDH1A1HSD17B10MAPTKMT2ACYP2D6 | |
| SCHEMBL29415418 | 0.76 | HTR7 (0.69) | ALDH1A1HSD17B10MAPTKMT2ACYP2D6 | |
| Ammonia Solution, Strong SCHEMBL5275016 | 0.76 | KDM4E (0.55) | KDM4EALDH1A1HPGDHSD17B10KLK7 | |
| SCHEMBL4327006 | 0.73 | MPO (0.75) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL6057649 | 0.72 | KDM4E (1.00) | KDM4EALDH1A1HPGDHSD17B10KLK7 |
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-111094300-B | Benzo-heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-09-16 | — | — | CN | disclosed |