Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.45 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL26252983 | 0.86 | CA2 (0.57) | KEAP1NFE2L2MAPTCA1CA2 | |
| SCHEMBL30938679 | 0.86 | CA2 (0.57) | KEAP1NFE2L2MAPTCA1CA2 | |
| SCHEMBL28396678 | 0.85 | KMT2A (0.55) | MAPTCA1CA2CA5ACA5B | |
| SCHEMBL28401134 | 0.83 | CA1 (0.46) | MAPTCYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL28888736 | 0.83 | GRM5 (0.46) | KEAP1NFE2L2POLBMAPTCYP3A4 | |
| SCHEMBL30938684 | 0.83 | CA1 (0.46) | MAPTCYP3A4CYP2C9CYP2C19CA1 | |
| SCHEMBL28400475 | 0.83 | MAPT (0.46) | KEAP1NFE2L2MAPTCYP3A4CYP2C9 | |
| SCHEMBL29710495 | 0.82 | STIM1 (0.50) | KEAP1NFE2L2STIM1ORAI1MAPT | |
| SCHEMBL28562832 | 0.82 | STIM1 (0.50) | KEAP1NFE2L2STIM1ORAI1MAPT | |
| SCHEMBL22558313 | 0.82 | MAPT (0.56) | MAPTCA1CA2CA5ACA5B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111170955-B | Green preparation method of 2H-1,2,3-triazole compound | 河南师范大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-111170955-A | Green preparation method of 2H-1,2, 3-triazole compound | 河南师范大学 | 2020-05-19 | — | — | CN | disclosed |