Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | AGER | Q15109 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | PER2 | O15055 | 1/20 | 0.38 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.38 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27992183 | 0.85 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4ETSHRCYP1A2 | |
| SCHEMBL27992156 | 0.84 | DYRK1A (0.45) | ALDH1A1HPGDKDM4ETSHRSMN1; SMN2 | |
| SCHEMBL27908740 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HPGDKDM4ETSHRSMN1; SMN2 | |
| SCHEMBL27992434 | 0.80 | PGR (0.52) | ALDH1A1HPGDKDM4ETDP1L3MBTL1 | |
| SCHEMBL27992448 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4ETSHRSMN1; SMN2 | |
| SCHEMBL27992426 | 0.78 | MCL1 (0.64) | ALDH1A1KDM4ETSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL27992430 | 0.78 | PSEN1 (0.48) | KDM4EMAPT | |
| SCHEMBL27992432 | 0.78 | UTS2R (0.44) | ALDH1A1HPGDTSHRTDP1MCL1 | |
| SCHEMBL29643235 | 0.76 | BACE1 (0.63) | ALDH1A1HPGDKDM4ETSHRSMN1; SMN2 | |
| SCHEMBL2800361 | 0.76 | BACE1 (0.63) | ALDH1A1HPGDKDM4ETSHRSMN1; SMN2 |
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 |