Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 13/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29520454 | 0.78 | NPC1 (0.52) | KDM4EALDH1A1LMNATSHRMEN1 | |
| SCHEMBL5252051 | 0.78 | NPC1 (0.42) | KDM4EALDH1A1HSD17B10LMNAHPGD | |
| SCHEMBL29520372 | 0.75 | NPC1 (0.42) | KDM4EALDH1A1HSD17B10LMNATSHR | |
| SCHEMBL1192213 | 0.75 | LMNA (0.47) | KDM4EALDH1A1HSD17B10LMNAHTT | |
| SCHEMBL6259455 | 0.75 | NPC1 (0.42) | KDM4EALDH1A1HSD17B10LMNATSHR | |
| SCHEMBL30638944 | 0.75 | HTT (0.56) | KDM4EALDH1A1HPGDHTTKMT2A | |
| SCHEMBL31174248 | 0.75 | VDR (0.48) | KDM4EALDH1A1HSD17B10LMNAHPGD | |
| SCHEMBL31174250 | 0.75 | VDR (0.48) | KDM4EALDH1A1HSD17B10LMNAHPGD | |
| SCHEMBL900164 | 0.75 | VDR (0.48) | KDM4EALDH1A1HSD17B10LMNAHPGD | |
| SCHEMBL9368516 | 0.75 | KDM4E (0.69) | KDM4EALDH1A1HSD17B10LMNATSHR |
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-108976174-B | Preparation method of 3-trifluoromethyl quinoxalinone compound | 河北工业大学 | 2021-08-03 | — | — | CN | disclosed |