Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CFTR | P13569 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6109360 | 0.93 | GAA (0.66) | GAAKDM4EPOLBALDH1A1HPGD | |
| SCHEMBL6473999 | 0.85 | GAA (0.74) | GAAKDM4EPOLBALDH1A1HPGD | |
| SCHEMBL29424850 | 0.85 | GAA (0.74) | GAAKDM4EPOLBALDH1A1HPGD | |
| SCHEMBL23704095 | 0.85 | GAA (0.54) | GAAKDM4EPOLBALDH1A1HPGD | |
| SCHEMBL15490212 | 0.84 | PARP10 (0.45) | GAAKDM4EALDH1A1HPGDGLA | |
| SCHEMBL8902306 | 0.84 | GAA (0.67) | GAAKDM4EPOLBALDH1A1HPGD | |
| SCHEMBL2900351 | 0.84 | KDM4E (0.82) | GAAKDM4EPOLBALDH1A1HPGD | |
| SCHEMBL30221910 | 0.84 | KDM4E (0.50) | GAAKDM4EPOLBALDH1A1HPGD | |
| SCHEMBL3529864 | 0.84 | KDM4E (0.50) | GAAKDM4EPOLBALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL15486587 | 0.83 | PARP10 (0.44) | GAAKDM4EALDH1A1HPGDGLA |
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-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |