Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 2/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL31222111 | 0.91 | GAA (0.46) | RAB9AGAACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL31222088 | 0.89 | AURKA (0.38) | RAB9AGAACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL31222114 | 0.89 | ALDH1A1 (0.47) | GAACYP1A2CYP2C19CYP2C9SMN1; SMN2 | |
| SCHEMBL31222094 | 0.89 | GAA (0.47) | RAB9AGAACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL31222121 | 0.86 | HSD17B10 (0.39) | RAB9AGAACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL31222110 | 0.86 | ALDH1A1 (0.39) | GAACYP1A2CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL31222129 | 0.85 | GRM4 (0.39) | RAB9AGAACYP1A2CYP2C19CYP2C9 | |
| SCHEMBL31222113 | 0.84 | DGAT1 (0.41) | GAAALDH1A1MAPTLMNAHSD17B10 | |
| SCHEMBL31222098 | 0.84 | ALDH1A1 (0.39) | GAACYP1A2CYP2C9ALDH1A1MAPT | |
| SCHEMBL31222097 | 0.83 | HSD17B10 (0.45) | GAACYP1A2ALDH1A1MAPTLMNA |
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-118994136-A | Pyrazole compound containing N1-heterocycle, and preparation method and application thereof | 安阳师范学院 | 2024-11-22 | — | — | CN | disclosed |