Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29260258 | 0.91 | ALDH1A1 (0.37) | ALDH1A1HSD17B10LMNAALOX15MGAM | |
| SCHEMBL29290419 | 0.83 | GAA (0.47) | ALDH1A1HSD17B10LMNAALOX15MGAM | |
| SCHEMBL28669213 | 0.83 | MMP8 (0.33) | ALDH1A1HSD17B10LMNAALOX15MMP8 | |
| SCHEMBL28544621 | 0.82 | ALDH1A1 (0.40) | ALDH1A1HSD17B10LMNAALOX15MGAM | |
| SCHEMBL20769881 | 0.80 | ALDH1A1 (0.39) | ALDH1A1HSD17B10LMNAALOX15MGAM | |
| SCHEMBL32689467 | 0.78 | ALDH1A1 (0.37) | ALDH1A1HSD17B10LMNAALOX15MGAM | |
| SCHEMBL25910114 | 0.78 | ALDH1A1 (0.37) | ALDH1A1HSD17B10LMNAALOX15MGAM | |
| SCHEMBL14491878 | 0.77 | ALDH1A1 (0.36) | ALDH1A1HSD17B10LMNAALOX15MGAM | |
| SCHEMBL15177209 | 0.75 | ALDH1A1 (0.34) | ALDH1A1HSD17B10LMNAALOX15MGAM | |
| SCHEMBL27756318 | 0.75 | ALDH1A1 (0.34) | ALDH1A1HSD17B10LMNAALOX15MGAM |
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-113173852-B | Preparation method of difluoro malonate type compound | 深圳市华先医药科技有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-113880726-A | Method for efficiently synthesizing diazo compound | 南昌大学 | 2022-01-04 | — | — | CN | disclosed |
| CN-113173852-A | Preparation method of difluoro malonate type compound | 深圳市华先医药科技有限公司 | 2021-07-27 | — | — | CN | disclosed |