Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 5/20 | 0.44 |
| ▸ | KMO | O15229 | 3/20 | 0.43 |
| ▸ | CDH1 | P12830 | 1/20 | 0.41 |
| ▸ | APC | P25054 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | XBP1 | P17861 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | STAT1 | P42224 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL29233399 | 0.85 | ALDH1A1 (0.41) | DHODHSMN1; SMN2NPSR1MAPTKDM4E | |
| SCHEMBL7140259 | 0.81 | CDH1 (0.51) | DHODHKMOCDH1APCCTNNB1 | |
| SCHEMBL29233396 | 0.78 | RXRA (0.44) | KMORXRAALDH1A1 | |
| SCHEMBL212982 | 0.72 | DHODH (0.43) | DHODHKMOCDH1APCCTNNB1 | |
| SCHEMBL13528395 | 0.71 | KMO (0.33) | KMO | |
| SCHEMBL29233393 | 0.71 | ATF1 (0.39) | DHODHSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL440116 | 0.70 | KMO (0.47) | DHODHKMOCDH1APCCTNNB1 | |
| SCHEMBL25210699 | 0.69 | KMO (0.55) | DHODHKMOCDH1APCCTNNB1 | |
| SCHEMBL8341574 | 0.69 | SMN1; SMN2 (0.64) | SMN1; SMN2MAPTPTGDR2KDM4EALDH1A1 | |
| SCHEMBL3562644 | 0.68 | KDM4E (0.60) | KMOMAPTKDM4EALDH1A1 |
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-116574088-A | 6-trifluoromethyl-1, 2, 4-triazene-3-amide compound, and preparation method and application thereof | 天津大学 | 2023-08-11 | — | — | CN | disclosed |