Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HBB | P68871 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL27992434 | 0.85 | PGR (0.52) | ALDH1A1DYRK1AHPGDLMNAKDM4E | |
| SCHEMBL27992160 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HTTHPGDLMNAKDM4E | |
| SCHEMBL17122519 | 0.84 | DYRK1A (0.62) | ALDH1A1DYRK1AHTTHPGDMAPK1 | |
| SCHEMBL27992426 | 0.83 | MCL1 (0.64) | ALDH1A1DYRK1AMAPK1KDM4EMAPT | |
| SCHEMBL27992430 | 0.83 | PSEN1 (0.48) | DYRK1AKDM4EMAPTPGR | |
| SCHEMBL29078117 | 0.82 | PTGER4 (0.43) | ALDH1A1DYRK1AHTTHPGDMAPK1 | |
| SCHEMBL27917532 | 0.80 | HASPIN (0.46) | ALDH1A1DYRK1AHTTHPGDMAPK1 | |
| SCHEMBL27910573 | 0.80 | MCL1 (0.53) | ALDH1A1DYRK1AHTTHPGDMAPK1 | |
| SCHEMBL27992450 | 0.80 | ALKBH5 (0.51) | ALDH1A1DYRK1AHPGDLMNAKDM4E | |
| SCHEMBL27992157 | 0.79 | PTGER4 (0.52) | ALDH1A1DYRK1AHTTHPGDMAPK1 |
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-104177376-A | 1-Position diamine beta-carboline alkali compound, and preparation method, medicinal composition and use thereof | XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD | 2014-12-03 | — | — | CN | disclosed |