Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27761911 | 0.78 | LMNA (0.43) | KDM4EALDH1A1GAAMAPTLMNA | |
| SCHEMBL28400995 | 0.77 | NPC1 (0.40) | KDM4EALDH1A1MEN1GAAKMT2A | |
| SCHEMBL28598328 | 0.73 | KDM4E (0.51) | KDM4EALDH1A1SMN1; SMN2MEN1GAA | |
| SCHEMBL28598336 | 0.72 | ALDH1A1 (0.38) | ALDH1A1MAPTCHRM2CHRM4CHRM5 | |
| SCHEMBL28713147 | 0.71 | HPGD (0.43) | KDM4EALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL29286631 | 0.71 | ADORA1 (0.41) | KMT2AIDO1LMNA | |
| SCHEMBL28226097 | 0.69 | ESR1 (0.41) | KDRKDM4EALDH1A1KMT2AMAPT | |
| SCHEMBL28713138 | 0.69 | FLT1 (0.40) | KDM4EALDH1A1SMN1; SMN2MEN1GAA | |
| SCHEMBL28695130 | 0.69 | ABL1 (0.51) | KDM4EALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL11015922 | 0.69 | KDM4E (0.40) | KDM4EGAAGRM1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109096139-B | Preparation method of alpha-carbonyl amide derivative | 贵州大学 | 2021-03-02 | — | — | CN | disclosed |
| CN-110997682-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 爱杜西亚药品有限公司 | 2020-04-10 | — | — | CN | disclosed |
| CN-109096139-A | A kind of preparation method of alpha-carbonyl amide derivatives | 贵州大学 | 2018-12-28 | — | — | CN | disclosed |