Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | EEF2K | O00418 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | FAAH | O00519 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL25403976 | 0.96 | LMNA (0.65) | ALDH1A1LMNAKDM4EHTTMAPK14 | |
| SCHEMBL31083821 | 0.81 | KDM4E (0.58) | ALDH1A1LMNAKDM4EHTTUSP2 | |
| SCHEMBL25403667 | 0.81 | HTT (0.49) | ALDH1A1LMNAKDM4EHTTMAPK14 | |
| SCHEMBL16707637 | 0.79 | FAAH (0.89) | KDM4EPKMNPSR1FAAHMAPT | |
| SCHEMBL25402636 | 0.78 | KDM4E (0.63) | ALDH1A1LMNAKDM4EHTTUSP2 | |
| SCHEMBL25403958 | 0.78 | KDM4E (0.61) | ALDH1A1KDM4EMAPK1HSD17B10MAPT | |
| SCHEMBL8301611 | 0.76 | MAPK14 (1.00) | ALDH1A1LMNAHTTMAPK14MAPT | |
| SCHEMBL25402669 | 0.75 | MEN1 (0.48) | ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2 | |
| SCHEMBL25404201 | 0.75 | KDM4E (0.57) | ALDH1A1KDM4EMAPK1HSD17B10MAPT | |
| SCHEMBL12655784 | 0.75 | CA12 (0.90) | KDM4EMAPK1PKMNPSR1FAAH |
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 |