Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.66 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.57 |
| ▸ | TGM2 | P21980 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | DHODH | Q02127 | 1/20 | 0.54 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.53 |
| ▸ | RORC | P51449 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2518624 | 0.88 | EPHX2 (0.76) | KIF11EPHX2PTGS1TGM2NPC1 | |
| SCHEMBL167549 | 0.84 | KIF11 (0.89) | KIF11EPHX2PTGS1TGM2NPC1 | |
| SCHEMBL11428736 | 0.82 | EPHX2 (0.68) | KIF11EPHX2TGM2NPC1RAB9A | |
| SCHEMBL12706753 | 0.81 | DHODH (0.62) | KIF11EPHX2PTGS1TGM2NPC1 | |
| SCHEMBL8241427 | 0.81 | DHODH (0.62) | KIF11EPHX2PTGS1TGM2NPC1 | |
| SCHEMBL3415035 | 0.81 | EPHX2 (0.66) | KIF11EPHX2PTGS1TGM2NPC1 | |
| SCHEMBL28729179 | 0.79 | EPHX2 (1.00) | KIF11EPHX2TGM2NPC1RAB9A | |
| SCHEMBL11003408 | 0.79 | EPHX2 (1.00) | KIF11EPHX2TGM2NPC1RAB9A | |
| SCHEMBL5427711 | 0.79 | KIF11 (1.00) | KIF11EPHX2PTGS1 | |
| SCHEMBL30234057 | 0.79 | ALDH1A1 (0.67) | KIF11PTGS1RAB9ACA12CA1 |
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-117466769-A | Preparation method of organic intermediate N' - (2, 4-dichloro-5-isopropoxyphenyl) pivaloyl hydrazide | 中国科学技术大学 | 2024-01-30 | — | — | CN | claimed |
| CN-117466769-A | Preparation method of organic intermediate N' - (2, 4-dichloro-5-isopropoxyphenyl) pivaloyl hydrazide | 中国科学技术大学 | 2024-01-30 | — | — | CN | disclosed |