Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | BRD4 | O60885 | 7/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TAF1 | P21675 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL28069747 | 0.86 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAABRD4HDAC1 | |
| SCHEMBL28192074 | 0.85 | BRD4 (0.44) | ALDH1A1BRD4HDAC1TAF1MAPT | |
| SCHEMBL28069689 | 0.82 | BRD4 (0.51) | ALDH1A1KDM4EGAABRD4TAF1 | |
| SCHEMBL28069693 | 0.81 | BRD4 (0.42) | ALDH1A1BRD4HDAC1MAPTL3MBTL1 | |
| SCHEMBL28069745 | 0.78 | ALDH1A1 (0.43) | ALDH1A1BRD4HDAC1MAPTL3MBTL1 | |
| SCHEMBL28069746 | 0.76 | BRD4 (0.42) | ALDH1A1KDM4EGAABRD4HDAC1 | |
| SCHEMBL28069741 | 0.75 | PGR (0.41) | BRD4 | |
| SCHEMBL31242942 | 0.70 | KDM4E (0.63) | ALDH1A1KDM4EMEN1KMT2ARAB9A | |
| SCHEMBL316626 | 0.70 | KDM4E (0.63) | ALDH1A1KDM4EMEN1KMT2ARAB9A | |
| SCHEMBL24934110 | 0.69 | OGG1 (0.42) | ALDH1A1KDM4EGAAKMT2ALMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105745193-A | Novel antifungal oxodihydropyridinecarbohydrazide derivative | 株式会社大熊制药 | 2016-07-06 | — | — | CN | claimed |
| CN-105745193-A | Novel antifungal oxodihydropyridinecarbohydrazide derivative | 株式会社大熊制药 | 2016-07-06 | — | — | CN | disclosed |