Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL28476647 | 0.86 | ABCB1 (0.50) | HDAC6HDAC1ABCB1ABCG2CHRM2 | |
| SCHEMBL28473847 | 0.83 | ABCB1 (0.47) | HDAC6HDAC1ABCB1ABCG2CHRM2 | |
| SCHEMBL24012219 | 0.79 | HDAC6 (0.51) | HDAC6HDAC1HDAC2HDAC8HDAC3 | |
| SCHEMBL20634793 | 0.79 | HDAC6 (0.43) | HDAC6HDAC1ABCB1ABCG2TBXA2R | |
| SCHEMBL28471499 | 0.77 | ABCB1 (0.43) | HDAC6HDAC1ABCB1ABCG2CHRM2 | |
| SCHEMBL6421345 | 0.77 | HDAC1 (0.67) | HDAC6HDAC1 | |
| SCHEMBL30275440 | 0.73 | ALDH1A1 (0.40) | HDAC6HDAC1ACHEALDH1A1GAA | |
| SCHEMBL7969204 | 0.71 | CACNA1G (0.47) | HDAC6HDAC1ACHEALDH1A1CYP2D6 | |
| SCHEMBL7969208 | 0.71 | CACNA1G (0.47) | HDAC6HDAC1ACHEALDH1A1CYP2D6 | |
| SCHEMBL20635518 | 0.71 | HDAC6 (0.47) | HDAC6HDAC1TBXA2RPTGDRHDAC2 |
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 |