Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 5/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL25403958 | 0.85 | KDM4E (0.61) | ALDH1A1KDM4EHSD17B10MAPK1MEN1 | |
| SCHEMBL25403976 | 0.84 | LMNA (0.65) | HTTMAPK14ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL25404201 | 0.81 | KDM4E (0.57) | ALDH1A1KDM4EHSD17B10MAPK1MEN1 | |
| SCHEMBL25406514 | 0.81 | ALDH1A1 (0.60) | HTTMAPK14ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL25402636 | 0.80 | KDM4E (0.63) | HTTALDH1A1KDM4EHSD17B10CA12 | |
| SCHEMBL29335990 | 0.80 | MAPK14 (0.73) | HTTMAPK14ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL25402669 | 0.79 | MEN1 (0.48) | ALDH1A1KDM4ETP53MEN1KMT2A | |
| SCHEMBL25405760 | 0.77 | KMT2A (0.65) | HTTALDH1A1KDM4ENAMPTLMNA | |
| SCHEMBL31070648 | 0.77 | GABRA1 (0.57) | KDM4ENAMPTTP53SMN1; SMN2 | |
| SCHEMBL25404693 | 0.76 | KDM4E (0.52) | HTTALDH1A1KDM4EHSD17B10CA12 |
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-118742543-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2024-10-01 | — | — | CN | disclosed |
| CN-116789641-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2023-09-22 | — | — | CN | disclosed |
| WO-2023174383-A1 | DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-09-21 | — | — | WO | disclosed |