Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | RORA | P35398 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | RORB | Q92753 | 1/20 | 0.39 |
| ▸ | HASPIN | Q8TF76 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28375965 | 0.99 | ABCB1 (0.40) | ABCB1PGRRORARORCRORB | |
| SCHEMBL28377601 | 0.89 | SIGMAR1 (0.39) | ABCB1HASPINGLAHPGDAPEX1 | |
| SCHEMBL28374231 | 0.86 | CXCR4 (0.40) | ABCB1CXCR4 | |
| SCHEMBL28375496 | 0.86 | SIGMAR1 (0.40) | ABCB1GLAHPGDAPEX1SYK | |
| SCHEMBL28374241 | 0.86 | KDM4E (0.45) | TDP1CXCR4 | |
| SCHEMBL28381088 | 0.86 | CXCR4 (0.38) | ABCB1GLAHPGDAPEX1SYK | |
| SCHEMBL28379342 | 0.85 | CXCR4 (0.40) | SLC6A4SLC6A2HRH1CXCR4 | |
| SCHEMBL28378072 | 0.85 | CXCR4 (0.37) | ABCB1SLC6A4SLC6A2HRH1GLA | |
| SCHEMBL28373991 | 0.85 | KDM4E (0.44) | TDP1CXCR4 | |
| SCHEMBL28378118 | 0.82 | ALDH1A1 (0.36) | ABCB1GLAHPGDAPEX1SYK |
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-104177377-B | 3-diamine β -carboline alkali compound, preparation method thereof, pharmaceutical composition thereof and application thereof | 新疆华世丹药物研究有限责任公司 | 2020-04-10 | — | — | CN | disclosed |