Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | HTR1A | P08908 | 3/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | DRD3 | P35462 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HTR1D | P28221 | 2/20 | 0.52 |
| ▸ | NAMPT | P43490 | 1/20 | 0.52 |
| ▸ | HTR1B | P28222 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL25402907 | 0.89 | MAPT (0.64) | KMT2AGAACA12CA1CA2 | |
| SCHEMBL25402636 | 0.85 | KDM4E (0.63) | KMT2AGAADRD3CA12CA1 | |
| SCHEMBL31083821 | 0.81 | KDM4E (0.58) | KMT2AGAADRD3CA12CA1 | |
| SCHEMBL25404667 | 0.81 | MEN1 (0.62) | KMT2AGAAHTR1AHTR2AHTR2C | |
| SCHEMBL25404693 | 0.79 | KDM4E (0.52) | KMT2AGAACA12CA1CA2 | |
| SCHEMBL25403333 | 0.78 | MAPT (0.56) | KMT2AHTR1AALDH1A1MAPTMAPK1 | |
| SCHEMBL25403958 | 0.78 | KDM4E (0.61) | KMT2AALDH1A1MAPTMAPK1HSD17B10 | |
| SCHEMBL31070560 | 0.78 | NAMPT (0.55) | KMT2AHTR1AHTR2CDRD3MAPT | |
| SCHEMBL31083713 | 0.78 | NPC1 (0.55) | KMT2AHTR1AHTR2CDRD3ALDH1A1 | |
| SCHEMBL2948364 | 0.76 | CA12 (0.79) | KMT2AGAAHTR1ACA12CA1 |
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 |