Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B10 | O60218 | 1/20 | 0.49 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | PLA2G2A | P14555 | 11/20 | 0.46 |
| ▸ | HTR6 | P50406 | 4/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28474518 | 0.86 | CHRM2 (0.46) | AKR1B10AKR1A1AKR1B1HTR6TSHR | |
| SCHEMBL30148139 | 0.85 | SLC6A4 (0.43) | AKR1B10AKR1A1AKR1B1HTR6HRH1 | |
| SCHEMBL28464365 | 0.74 | AKR1B10 (0.45) | AKR1B10AKR1A1AKR1B1PLA2G2AHTR6 | |
| SCHEMBL28468208 | 0.73 | AKR1B10 (0.47) | AKR1B10AKR1A1AKR1B1PLA2G2AHTR6 | |
| SCHEMBL13857709 | 0.70 | AKR1B10 (0.79) | AKR1B10AKR1A1AKR1B1PLA2G2AHTR6 | |
| SCHEMBL7102298 | 0.69 | HTR6 (0.56) | AKR1B10AKR1A1AKR1B1PLA2G2AHTR6 | |
| SCHEMBL3140058 | 0.68 | HTR6 (0.59) | PLA2G2AHTR6HRH1TSHRMAPK1 | |
| SCHEMBL1875318 | 0.65 | HTR6 (0.49) | AKR1B10AKR1A1AKR1B1PLA2G2AHTR6 | |
| SCHEMBL16892183 | 0.65 | MAPT (0.52) | — | |
| SCHEMBL3140052 | 0.65 | PLA2G2A (0.58) | AKR1B10AKR1A1AKR1B1PLA2G2APLA2G1B |
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 |