Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATF1 | P18846 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | PRNP | P04156 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
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 | 0.77 | ALDH1A1 (0.41) | MEN1KMT2ANPC1MAPTDHODH | |
| SCHEMBL29233402 | 0.71 | DHODH (0.44) | MAPTDHODHALDH1A1SMN1; SMN2 | |
| SCHEMBL29233396 | 0.70 | RXRA (0.44) | ATF1NFKB1KMT2AALDH1A1CNR1 | |
| SCHEMBL13528395 | 0.69 | KMO (0.33) | — | |
| SCHEMBL5528361 | 0.64 | DAO (0.40) | MEN1KMT2ARXFP1NPC1DAO | |
| SCHEMBL12712034 | 0.62 | DAO (0.48) | NFKB1MEN1KMT2ARXFP1NPC1 | |
| SCHEMBL2246659 | 0.62 | HDAC1 (0.54) | MEN1KMT2ADAOALDH1A1SMN1; SMN2 | |
| SCHEMBL6487220 | 0.61 | DAO (0.76) | MEN1KMT2ANPC1DAOALDH1A1 | |
| SCHEMBL6253921 | 0.61 | HDAC1 (0.60) | NFKB1NPC1SMN1; SMN2CNR1HDAC1 | |
| SCHEMBL5050187 | 0.60 | KIF11 (0.47) | MEN1KMT2ANPC1MAPTALDH1A1 |
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 |