Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | GUSB | P08236 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28464318 | 1.00 | HDAC6 (0.37) | HDAC6ACHEAKR1B10AKR1B1AKR1A1 | |
| SCHEMBL28464365 | 0.89 | AKR1B10 (0.45) | HDAC6ACHEAKR1B10AKR1B1AKR1A1 | |
| SCHEMBL28464316 | 0.88 | GUSB (0.39) | HDAC6HDAC1GUSBPTGDR2PDE5A | |
| SCHEMBL28899922 | 0.79 | GUSB (0.39) | HDAC6AKR1B10AKR1B1AKR1A1HDAC1 | |
| SCHEMBL28471016 | 0.78 | MAPKAPK2 (0.51) | MAPKAPK2ALDH1A1 | |
| SCHEMBL30148069 | 0.78 | MAPKAPK2 (0.51) | MAPKAPK2ALDH1A1 | |
| SCHEMBL28476651 | 0.76 | MAOA (0.39) | HDAC6AKR1B10AKR1B1AKR1A1HDAC1 | |
| SCHEMBL30148131 | 0.73 | PDE5A (0.38) | ACHEGUSBPDE5A | |
| SCHEMBL30148139 | 0.73 | SLC6A4 (0.43) | AKR1B10AKR1B1AKR1A1HRH1HTR6 | |
| SCHEMBL28471570 | 0.69 | LMNA (0.51) | ACHEBCHEALDH1A1 |
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-111675725-B | Tetrahydro-beta-carbaline dimer and preparation method and application thereof | 中国药科大学 | 2023-01-24 | — | — | CN | disclosed |