Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.56 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.40 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29084888 | 1.00 | ESR2 (0.56) | ESR2NR1H2NAMPTMAPK1ALDH2 | |
| SCHEMBL31070534 | 0.92 | HDAC1 (0.44) | ESR2NR1H2NAMPTMAPK1ALDH2 | |
| SCHEMBL30593261 | 0.82 | ESR2 (0.60) | ESR2NR1H2NAMPTMAPK1UCHL1 | |
| SCHEMBL25407478 | 0.82 | ESR2 (0.60) | ESR2NR1H2NAMPTMAPK1UCHL1 | |
| SCHEMBL30593270 | 0.81 | ESR2 (0.69) | ESR2NR1H2NAMPTMAPK1UCHL1 | |
| SCHEMBL23124526 | 0.81 | ESR2 (0.69) | ESR2NR1H2NAMPTMAPK1UCHL1 | |
| SCHEMBL31428709 | 0.78 | ESR2 (0.54) | ESR2NR1H2NAMPTMAPK1KDM4E | |
| SCHEMBL24842903 | 0.78 | ESR2 (0.65) | ESR2NR1H2NAMPTMAPK1UCHL1 | |
| SCHEMBL22821172 | 0.77 | ESR2 (0.57) | ESR2NR1H2NAMPTMAPK1UCHL1 | |
| SCHEMBL25405200 | 0.77 | ESR2 (0.63) | ESR2NR1H2NAMPTMAPK1NPC1 |
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-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 |