Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B10 | O60218 | 1/20 | 0.45 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | PLA2G2A | P14555 | 11/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899922 | 0.90 | GUSB (0.39) | AKR1B10AKR1A1AKR1B1ALDH1A1TSHR | |
| SCHEMBL28464318 | 0.89 | HDAC6 (0.37) | AKR1B10AKR1A1AKR1B1ACHEALDH1A1 | |
| SCHEMBL30148066 | 0.89 | HDAC6 (0.37) | AKR1B10AKR1A1AKR1B1ACHEALDH1A1 | |
| SCHEMBL28464316 | 0.80 | GUSB (0.39) | HDAC1HDAC6PTGDR2 | |
| SCHEMBL28468208 | 0.77 | AKR1B10 (0.47) | AKR1B10AKR1A1AKR1B1PLA2G2AALDH1A1 | |
| SCHEMBL30148069 | 0.77 | MAPKAPK2 (0.51) | ALDH1A1 | |
| SCHEMBL28471016 | 0.77 | MAPKAPK2 (0.51) | ALDH1A1 | |
| SCHEMBL30148102 | 0.74 | AKR1B10 (0.49) | AKR1B10AKR1A1AKR1B1PLA2G2AALDH1A1 | |
| SCHEMBL28471570 | 0.71 | LMNA (0.51) | ACHEALDH1A1HTT | |
| SCHEMBL28473847 | 0.69 | ABCB1 (0.47) | AKR1B10AKR1A1AKR1B1ALDH1A1TSHR |
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-111675725-B | Tetrahydro-beta-carbaline dimer and preparation method and application thereof | 中国药科大学 | 2023-01-24 | — | — | CN | disclosed |
| CN-111675725-A | Tetrahydro-beta-carbaline dimer and preparation method and application thereof | 中国药科大学 | 2020-09-18 | — | — | CN | disclosed |