Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | JMJD6 | Q6NYC1 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GRN | P28799 | 2/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | CPT2 | P23786 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18074299 | 1.00 | KDM4E (0.36) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL28373724 | 0.83 | SMN1; SMN2 (0.37) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL28373119 | 0.81 | JMJD6 (0.36) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL18074315 | 0.81 | JMJD6 (0.36) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL17018519 | 0.81 | KEAP1 (0.36) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL17504529 | 0.74 | JMJD6 (0.35) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL17047126 | 0.74 | KDR (0.42) | — | |
| SCHEMBL18074288 | 0.73 | NPC1 (0.34) | NPC1 | |
| SCHEMBL28374459 | 0.71 | CYP2C19 (0.35) | KDM4EALDH1A1LMNACYP2C19HIF1A | |
| SCHEMBL18074293 | 0.71 | CYP2C19 (0.35) | KDM4EALDH1A1LMNACYP2C19HIF1A |
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-107207481-B | 3- (4-ethynylphenyl) hexahydropyrimidine-2, 4-dione derivatives as modulators of MGLUR4 | 豪夫迈·罗氏有限公司 | 2020-03-03 | — | — | CN | disclosed |