Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28533018 | 0.90 | HSD17B10 (0.44) | ALDH1A1PKMHSD17B10MAPTPOLB | |
| SCHEMBL28525183 | 0.89 | ALDH1A1 (0.44) | ALDH1A1PKMHSD17B10MAPTEGLN1 | |
| SCHEMBL28524818 | 0.75 | ALDH1A1 (0.42) | ALDH1A1HSD17B10MAPTPOLBEGLN1 | |
| SCHEMBL28533016 | 0.72 | EGLN1 (0.41) | ALDH1A1HSD17B10MAPTEGLN1SMN1; SMN2 | |
| SCHEMBL28525182 | 0.71 | SMN1; SMN2 (0.52) | ALDH1A1PKMHSD17B10MAPTPOLB | |
| SCHEMBL28518021 | 0.70 | PDE4A (0.56) | ALDH1A1HSD17B10MAPTPOLBTSHR | |
| SCHEMBL1465523 | 0.64 | ALDH1A1 (0.87) | ALDH1A1PKMHSD17B10POLBTSHR | |
| SCHEMBL6038717 | 0.64 | KMT2A (0.62) | ALDH1A1HSD17B10MAPTPOLBSMN1; SMN2 | |
| SCHEMBL24257839 | 0.64 | GAA (0.54) | ALDH1A1POLBEGLN1HTTSMN1; SMN2 | |
| SCHEMBL22079909 | 0.63 | AKT1 (0.48) | KDM4ETDP1 |
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-106279044-B | Pyrimidine hydroxamic acid derivative and preparation method and application thereof | 厦门市博瑞来医药科技有限公司 | 2021-02-19 | — | — | CN | disclosed |