Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 8/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6942603 | 1.00 | BACE1 (0.39) | BACE1HCAR3HCAR2CNR1ALDH1A1 | |
| SCHEMBL8106827 | 1.00 | BACE1 (0.39) | BACE1HCAR3HCAR2CNR1ALDH1A1 | |
| SCHEMBL9005074 | 0.86 | HSD11B1 (0.38) | BACE1HCAR3HCAR2CNR1ALDH1A1 | |
| SCHEMBL8723263 | 0.86 | HSD11B1 (0.38) | BACE1HCAR3HCAR2CNR1ALDH1A1 | |
| SCHEMBL19904901 | 0.84 | BACE1 (0.38) | BACE1HCAR3HCAR2CNR1ALDH1A1 | |
| SCHEMBL6151991 | 0.82 | BACE1 (0.35) | BACE1HCAR3HCAR2CNR1ALDH1A1 | |
| SCHEMBL18757708 | 0.80 | PDE2A (0.39) | — | |
| SCHEMBL8805782 | 0.79 | BACE1 (0.38) | BACE1HCAR3HCAR2ALDH1A1CTSD | |
| SCHEMBL8446160 | 0.77 | NPSR1 (0.44) | HCAR3HCAR2CNR1ALDH1A1 | |
| SCHEMBL20970626 | 0.77 | ALDH1A1 (0.38) | BACE1HCAR3HCAR2CNR1ALDH1A1 |
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 8 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 |
| EP-1120397-A2 | Process for preparing triazole derivative | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2001-08-01 | — | — | EP | disclosed |
| US-6046354-A | CHEMICAL INTERMEDIATES, E.G. 2-ARYL-1,3-DIACYLOXY-2-PROPANOL, FOR DRUGS AND FUNGICIDES,E.G. (R)-2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPANE-1,2-DIOL, | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2000-04-04 | — | — | US | disclosed |
| US-5840553-A | OPTICALLY ACTIVE 2-ARYL-3-ACYLOXY-1,2,-PROPANE DIOL USING A MICROORGANISM OR ENZYME DERIVED FROM PORCINE PANCREAS; VIA STEREOSPECIFIC HYDROLYSIS OF A 2-ARYL-1,3-DIACYLOXY-2-PROPANOL; SYNTHETIC CHEMICAL INTERMEDIATES, FUNGICIDES | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1998-11-24 | — | — | US | disclosed |
| US-5702928-A | ASYMMETRIC SYNTHESIS BY ESTER INTERCHANGE OR HYDROLYSIS CATALYZED BY MICROBIAL LIPASE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-30 | — | — | US | disclosed |
| US-5654472-A | OPTICALLY PURE 2-ARYL-3-ACYLOXY-1,2-PROPANEDIOL COMPOUNDS; CHEMICAL INTERMEDIATES | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1997-08-05 | — | — | US | disclosed |
| EP-0725146-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE TRIAZOLE COMPOUND AND METHOD OF RACEMIZING OPTICALLY ACTIVE TRIAZOLE COMPOUND | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1996-08-07 | — | — | EP | disclosed |
| EP-0704419-A1 | PROCESS FOR PRODUCING TRIAZOLE DERIVATIVE | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1996-04-03 | — | — | EP | disclosed |