Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20095552 | 0.85 | DGAT1 (0.47) | ALDH1A1LMNAMAPTHTTKMT2A | |
| SCHEMBL20628901 | 0.83 | CES2 (0.52) | CES2CES1ACKR3ALDH1A1HTT | |
| SCHEMBL29788741 | 0.81 | CES2 (0.53) | CES2CES1ACKR3HTTSNCA | |
| SCHEMBL3892255 | 0.81 | CES2 (0.53) | CES2CES1ACKR3HTTSNCA | |
| SCHEMBL20628934 | 0.80 | CES2 (0.47) | CES2CES1ACKR3ALDH1A1HTT | |
| SCHEMBL25208513 | 0.78 | CES2 (0.53) | CES2CES1ACKR3ALDH1A1MAPT | |
| SCHEMBL25437126 | 0.77 | CES2 (0.49) | CES2CES1ACKR3ALDH1A1GAA | |
| SCHEMBL18281745 | 0.74 | CES2 (0.53) | CES2CES1ALDH1A1MAPTGAA | |
| SCHEMBL23678540 | 0.74 | CES2 (0.40) | CES2CES1ACKR3ALDH1A1LMNA | |
| SCHEMBL6939807 | 0.74 | CES2 (0.49) | CES2CES1ACKR3ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023173717-A1 | PREPARATION METHOD FOR INTERMEDIATE COMPOUND ACTING AS SYNTHETIC POSACONAZOLE, AND INTERMEDIATE COMPOUND PREPARED THEREBY | 浙江奥翔药业股份有限公司 | 2023-09-21 | — | — | WO | disclosed |
| CN-114591272-A | Preparation method of intermediate compound for synthesizing posaconazole and intermediate compound prepared by same | 浙江奥翔药业股份有限公司 | 2022-06-07 | — | — | CN | disclosed |