Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CCL2 | P13500 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28824445 | 0.80 | BRD4 (0.40) | ALDH1A1MAPTBRD4CCL2ATM | |
| Hydrochloric Acid SCHEMBL27896263 | 0.80 | BRD4 (0.40) | ALDH1A1MAPTMEN1KMT2AUSP2 | |
| SCHEMBL27640875 | 0.79 | ALDH1A1 (0.33) | ALDH1A1MAPTHPGDLMNANPSR1 | |
| SCHEMBL27913730 | 0.78 | BRD4 (0.36) | ALDH1A1MAPTBRD4CCL2HTR6 | |
| SCHEMBL28310354 | 0.76 | ALDH1A1 (0.39) | ALDH1A1MAPTMEN1KMT2AUSP2 | |
| SCHEMBL16245516 | 0.76 | BRD4 (0.38) | ALDH1A1MAPTMEN1KMT2AUSP2 | |
| SCHEMBL27573091 | 0.76 | MAPT (0.44) | ALDH1A1MAPTMEN1KMT2AUSP2 | |
| SCHEMBL27894730 | 0.75 | ALDH1A1 (0.33) | ALDH1A1MAPTMEN1KMT2ALMNA | |
| SCHEMBL27621944 | 0.75 | POLB (0.38) | ALDH1A1MEN1KMT2AGAASIGMAR1 | |
| SCHEMBL28089129 | 0.74 | BRD4 (0.49) | ALDH1A1MAPTMEN1KMT2AUSP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108033910-A | A kind of preparation method of 2- benzyls -3,4- dihydros -2H- isoquinoline-1-ketone derivatives | 上海应用技术大学 | 2018-05-15 | — | — | CN | disclosed |