Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9510279 | 0.85 | HPGDS (0.58) | LTA4HHPGDSPIN1NPC1RAB9A | |
| SCHEMBL1919495 | 0.83 | HPGDS (0.52) | LTA4HHPGDSPIN1BRD4EDNRB | |
| SCHEMBL9151503 | 0.83 | LTA4H (0.46) | LTA4HHPGDSPIN1NPC1RAB9A | |
| SCHEMBL3054443 | 0.81 | LTA4H (0.55) | LTA4HHPGDSNPC1RAB9AHSD17B10 | |
| SCHEMBL30457886 | 0.78 | NPC1 (0.53) | LTA4HHPGDSPIN1NPC1RAB9A | |
| SCHEMBL739276 | 0.78 | NPC1 (0.53) | LTA4HHPGDSPIN1NPC1RAB9A | |
| Ammonia Solution, Strong SCHEMBL28198912 | 0.78 | LTA4H (0.42) | LTA4HHPGDSPIN1ALDH1A1TSHR | |
| SCHEMBL28480268 | 0.76 | PIK3CA (0.39) | LTA4HHPGDSPIN1NPC1RAB9A | |
| SCHEMBL5822874 | 0.76 | PTGS2 (0.54) | PTGS2PTGS1 | |
| SCHEMBL9347252 | 0.76 | PTGS2 (0.41) | NPC1RAB9AHSD17B10KDM4EALDH1A1 |
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-111925338-A | Microwave preparation method of 2, 4-disubstituted oxazole compound | 浙江工业大学 | 2020-11-13 | — | — | CN | disclosed |