Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.48 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.48 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.48 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.48 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.48 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10536109 | 0.84 | MAPT (0.62) | MAPTALDH1A1HPGDPOLBACHE | |
| SCHEMBL29978754 | 0.84 | MAPT (0.62) | MAPTALDH1A1HPGDPOLBACHE | |
| SCHEMBL27946081 | 0.82 | MAPT (0.75) | MAPTALDH1A1HPGDACHEL3MBTL1 | |
| SCHEMBL30109412 | 0.78 | MAPT (0.53) | MAPTALDH1A1HPGDGRIN2DGRIN3B | |
| SCHEMBL2799605 | 0.76 | DRD2 (0.60) | MAPTALDH1A1HPGDACHEL3MBTL1 | |
| SCHEMBL28446030 | 0.75 | MAPT (0.53) | MAPTALDH1A1HPGDPOLBGRIN2D | |
| SCHEMBL18155195 | 0.73 | ALDH1A1 (0.65) | MAPTALDH1A1HPGDPOLBACHE | |
| SCHEMBL4190135 | 0.72 | HTR6 (0.61) | MAPTLMNASIGMAR1 | |
| SCHEMBL20733031 | 0.72 | CCR5 (0.52) | MAPTALDH1A1HPGDACHEMEN1 | |
| SCHEMBL28511296 | 0.71 | DRD2 (0.54) | ALDH1A1HPGDDRD4HSD17B10 |
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-115557889-A | 2-aryl-3, 4-dihydroisoquinoline derivative and application thereof in preparing antitumor drugs | 西南交通大学 | 2023-01-03 | — | — | CN | claimed |
| CN-115557889-A | 2-aryl-3, 4-dihydroisoquinoline derivative and application thereof in preparing antitumor drugs | 西南交通大学 | 2023-01-03 | — | — | CN | disclosed |