Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27887263 | 0.88 | SIGMAR1 (0.47) | SIGMAR1TP53ALDH1A1HPGDALOX15 | |
| SCHEMBL27324475 | 0.88 | SIGMAR1 (0.47) | SIGMAR1TP53ALDH1A1HPGDALOX15 | |
| Formamide SCHEMBL28139443 | 0.88 | SIGMAR1 (0.47) | SIGMAR1TP53ALDH1A1HPGDALOX15 | |
| Formic Acid SCHEMBL27403153 | 0.88 | ALDH1A1 (0.48) | SIGMAR1TP53ALDH1A1HPGDALOX15 | |
| Propionaldehyde SCHEMBL27471578 | 0.88 | SIGMAR1 (0.47) | SIGMAR1TP53ALDH1A1HPGDALOX15 | |
| SCHEMBL11594885 | 0.87 | TP53 (0.58) | SIGMAR1TP53ALDH1A1HPGDALOX15 | |
| SCHEMBL40575 | 0.87 | — | — | |
| Benzene SCHEMBL3223041 | 0.87 | TP53 (0.58) | SIGMAR1TP53ALDH1A1HPGDALOX15 | |
| Benzene SCHEMBL28308118 | 0.87 | TP53 (0.58) | SIGMAR1TP53ALDH1A1HPGDALOX15 | |
| Formic Acid SCHEMBL18016467 | 0.86 | ALDH1A1 (0.47) | SIGMAR1TP53ALDH1A1HPGDCNR2 |
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-105085422-A | Method for synthesizing 1,2,3-triazole compound in supercritical carbon dioxide | UNIV HENAN NORMAL | 2015-11-25 | — | — | CN | claimed |
| CN-105085422-A | Method for synthesizing 1,2,3-triazole compound in supercritical carbon dioxide | UNIV HENAN NORMAL | 2015-11-25 | — | — | CN | disclosed |