Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.48 |
| ▸ | APAF1 | O14727 | 1/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | CASP9 | P55211 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13701710 | 0.85 | ADRA1D (0.58) | KDM4EALDH1A1HPGDHSD17B10L3MBTL1 | |
| SCHEMBL13702259 | 0.84 | CHIA (0.51) | ALDH1A1ELANEMAPTSMN1; SMN2HPGDS | |
| SCHEMBL13702335 | 0.82 | ADRA1D (0.49) | KDM4EALDH1A1HPGDHSD17B10L3MBTL1 | |
| SCHEMBL6402609 | 0.82 | DRD2 (0.52) | SMN1; SMN2 | |
| SCHEMBL6530243 | 0.81 | KDM4E (0.52) | KDM4EALDH1A1HPGDHSD17B10L3MBTL1 | |
| SCHEMBL11465420 | 0.80 | ALDH1A1 (0.66) | KDM4EALDH1A1HPGDPARP1PARP2 | |
| SCHEMBL11158275 | 0.79 | MMP12 (0.50) | ALDH1A1HSD17B10L3MBTL1NPC1RAB9A | |
| SCHEMBL5947803 | 0.79 | SMN1; SMN2 (0.51) | ALDH1A1HPGDMAPTSMN1; SMN2HPGDS | |
| SCHEMBL28870897 | 0.79 | ALDH1A1 (0.53) | KDM4EALDH1A1HPGDHSD17B10NPC1 | |
| SCHEMBL4708251 | 0.78 | GAA (0.50) | KDM4EALDH1A1AURKARPS6KB1PARP1 |
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-106061967-B | The nicotinamide compounds replaced through heteroaryl | 百时美施贵宝公司 | 2019-04-19 | — | — | CN | claimed |