Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.60 |
| ▸ | TGM2 | P21980 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | AHR | P35869 | 1/20 | 0.57 |
| ▸ | EGFR | P00533 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL28835016 | 0.88 | NPSR1 (0.63) | GAAALDH1A1TGM2HPGDMAPT | |
| SCHEMBL2044824 | 0.86 | GAA (0.53) | GAAALDH1A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL25648912 | 0.84 | TGM2 (0.59) | GAAALDH1A1TGM2NPC1RAB9A | |
| SCHEMBL2094903 | 0.84 | GAA (0.69) | GAAALDH1A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL11329599 | 0.83 | TGM2 (0.58) | GAAALDH1A1TGM2HPGDMAPT | |
| SCHEMBL31596022 | 0.83 | GAA (0.54) | GAAALDH1A1TGM2MAPTNPC1 | |
| SCHEMBL19958218 | 0.83 | TGM2 (0.58) | GAAALDH1A1TGM2MAPTNPC1 | |
| SCHEMBL28447726 | 0.83 | LPAR1 (0.52) | GAAALDH1A1TGM2MAPTNPC1 | |
| SCHEMBL6475098 | 0.82 | ALDH1A1 (0.71) | GAAALDH1A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL22895498 | 0.82 | CA12 (0.54) | GAAALDH1A1RAB9ALMNAGLA |
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-118955381-A | Pyrazole compound as well as preparation method and application thereof | 赣南师范大学 | 2024-11-15 | — | — | CN | claimed |
| CN-118955381-A | Pyrazole compound as well as preparation method and application thereof | 赣南师范大学 | 2024-11-15 | — | — | CN | disclosed |
| CN-106008480-A | Quinazoline compound containing cinnamamide structure and preparation method and application thereof | 江西科技师范大学 | 2016-10-12 | — | — | CN | disclosed |