Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28373991 | 0.99 | KDM4E (0.44) | KDM4ESMN1; SMN2TDP1ALDH1A1CXCR4 | |
| SCHEMBL28375498 | 0.97 | KDM4E (0.46) | KDM4ESMN1; SMN2TDP1ALDH1A1CXCR4 | |
| SCHEMBL28374843 | 0.93 | KMT2A (0.45) | KDM4ESMN1; SMN2TDP1ALDH1A1CXCR4 | |
| SCHEMBL28885980 | 0.89 | KMT2A (0.46) | KDM4ESMN1; SMN2TDP1ALDH1A1MEN1 | |
| SCHEMBL28377601 | 0.89 | SIGMAR1 (0.39) | KDM4ESMN1; SMN2TDP1ALDH1A1CXCR4 | |
| SCHEMBL28375496 | 0.86 | SIGMAR1 (0.40) | KDM4ESMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL28374246 | 0.86 | CXCR4 (0.40) | KDM4ESMN1; SMN2TDP1ALDH1A1CXCR4 | |
| SCHEMBL28381088 | 0.86 | CXCR4 (0.38) | KDM4ETDP1ALDH1A1CXCR4 | |
| SCHEMBL28375501 | 0.86 | ABCB1 (0.41) | TDP1CXCR4 | |
| SCHEMBL28374231 | 0.84 | CXCR4 (0.40) | CXCR4 |
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 |