Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | CDC25A | P30304 | 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 | |
|---|---|---|---|---|
| SCHEMBL28294520 | 0.87 | KLKB1 (0.45) | RAB9ANPC1GAA | |
| SCHEMBL28844196 | 0.77 | KDM4E (0.51) | ALDH1A1KDM4ERAB9ATDP1HPGD | |
| SCHEMBL5403605 | 0.74 | KDM4E (0.56) | ALDH1A1KDM4ERAB9ATDP1HPGD | |
| SCHEMBL28296211 | 0.74 | KLKB1 (0.43) | RAB9ANPC1GAA | |
| SCHEMBL28294516 | 0.73 | KLKB1 (0.47) | RAB9ANPC1GAA | |
| SCHEMBL28146101 | 0.72 | KLKB1 (0.44) | ALDH1A1KDM4EHPGDGAAMAPT | |
| SCHEMBL5401821 | 0.70 | KDM4E (0.56) | ALDH1A1KDM4ERAB9ATDP1HPGD | |
| SCHEMBL3319825 | 0.69 | MAPT (0.55) | ALDH1A1KDM4ERAB9ANPC1GAA | |
| SCHEMBL201951 | 0.67 | KDM4E (0.70) | ALDH1A1KDM4ERAB9ATDP1HPGD | |
| SCHEMBL202826 | 0.67 | KDM4E (0.70) | ALDH1A1KDM4ERAB9ATDP1HPGD |
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-106608872-B | 5- pyrazol acid amide compounds and the preparation method and application thereof | 湖南化工研究院有限公司 | 2019-04-19 | — | — | CN | disclosed |