Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28471499 | 0.87 | ABCB1 (0.43) | ABCB1ABCG2GAAALDH1A1HDAC6 | |
| SCHEMBL28476651 | 0.85 | MAOA (0.39) | PDE5AKDM4ECNR2ALDH1A1HPGD | |
| SCHEMBL30148104 | 0.82 | ABCB1 (0.50) | ABCB1ABCG2PDE5AGAAKDM4E | |
| SCHEMBL28468208 | 0.76 | AKR1B10 (0.47) | ALDH1A1HDAC6HDAC1 | |
| SCHEMBL28464327 | 0.73 | LMNA (0.58) | ABCB1ABCG2GAAKDM4EPOLB | |
| SCHEMBL28464316 | 0.72 | GUSB (0.39) | ABCB1ABCG2PDE5AGAAKDM4E | |
| SCHEMBL28473847 | 0.71 | ABCB1 (0.47) | ABCB1ABCG2GAAKDM4EALDH1A1 | |
| SCHEMBL28476647 | 0.69 | ABCB1 (0.50) | ABCB1ABCG2GAAKDM4EALDH1A1 | |
| SCHEMBL13877241 | 0.63 | SLC6A4 (0.47) | ABCB1ABCG2PDE5AKDM4EALDH1A1 | |
| SCHEMBL14627593 | 0.59 | SLC6A4 (0.48) | ABCB1ABCG2KDM4EALDH1A1HPGD |
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 |