Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | GAA | P10253 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31222132 | 0.92 | PTGS2 (0.36) | ALDH1A1GAAMAPTHPGDKDM4E | |
| SCHEMBL31222107 | 0.91 | ALDH1A1 (0.43) | ALDH1A1GAAMAPTCYP1A2CYP2C9 | |
| SCHEMBL31222112 | 0.91 | ALDH1A1 (0.37) | ALDH1A1GAAMAPTHPGDKDM4E | |
| SCHEMBL31222073 | 0.91 | GAA (0.41) | ALDH1A1GAAMAPTCYP1A2CYP2C9 | |
| SCHEMBL31222110 | 0.91 | ALDH1A1 (0.39) | ALDH1A1GAAMAPTCYP1A2CYP2C9 | |
| SCHEMBL31222094 | 0.87 | GAA (0.47) | ALDH1A1GAAMAPTCYP1A2CYP2C9 | |
| SCHEMBL31222125 | 0.84 | KLKB1 (0.36) | ALDH1A1GAAMAPTLMNAKDM4E | |
| SCHEMBL31222076 | 0.84 | GAA (0.42) | ALDH1A1GAAMAPTCYP1A2CYP2C9 | |
| SCHEMBL31222124 | 0.83 | GAA (0.40) | ALDH1A1GAAMAPTCYP1A2CYP2C9 | |
| SCHEMBL31222092 | 0.82 | GAA (0.43) | ALDH1A1GAAMAPTCYP1A2CYP2C9 |
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 |