Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | FAAH | O00519 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 9/20 | 0.48 |
| ▸ | RAB9A | P51151 | 8/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | HPGD | P15428 | 8/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30301351 | 1.00 | CES1 (0.53) | CES1FAAHNPC1RAB9AALDH1A1 | |
| SCHEMBL9911657 | 0.77 | ALDH1A1 (0.56) | CES1FAAHNPC1RAB9AALDH1A1 | |
| SCHEMBL10626253 | 0.71 | ALDH1A1 (0.69) | CES1FAAHNPC1RAB9AALDH1A1 | |
| SCHEMBL5217928 | 0.71 | NPC1 (0.50) | CES1FAAHNPC1RAB9AALDH1A1 | |
| SCHEMBL13484009 | 0.69 | ALDH1A1 (0.46) | CES1FAAHNPC1RAB9AALDH1A1 | |
| SCHEMBL29243079 | 0.69 | ALDH1A1 (0.43) | CES1FAAHNPC1RAB9AALDH1A1 | |
| SCHEMBL182010 | 0.69 | CES2 (0.71) | CES1NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL5217935 | 0.68 | MAPT (0.55) | CES1NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL27623968 | 0.66 | S1PR4 (0.58) | CES1FAAHNPC1RAB9AALDH1A1 | |
| SCHEMBL5763248 | 0.66 | HPGD (0.43) | CES1FAAHNPC1RAB9AALDH1A1 |
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-115819366-B | Preparation method of 2-aroyl substituted oxazole compound and compound prepared by same | 重庆医科大学 | 2024-05-24 | — | — | CN | disclosed |
| CN-115819366-A | Preparation method of 2-aroyl substituted oxazole compound and compound prepared by same | 重庆医科大学 | 2023-03-21 | — | — | CN | disclosed |