Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Acetic Acid Propyl Ester SCHEMBL638351 | 0.86 | TSHR (0.61) | ALDH1A1LMNATSHRHSD17B10CHRM5 | |
| Acetic Acid Propyl Ester SCHEMBL9624473 | 0.85 | TSHR (0.54) | ALDH1A1LMNATSHRHSD17B10CHRM5 | |
| Ethyl Acetate SCHEMBL28175030 | 0.84 | ALDH1A1 (0.58) | ALDH1A1LMNATSHRHSD17B10SMN1; SMN2 | |
| Acetic Acid Propyl Ester SCHEMBL10418679 | 0.82 | ALDH1A1 (0.48) | ALDH1A1LMNATSHRHSD17B10CHRM5 | |
| Acetic Acid Propyl Ester SCHEMBL31198553 | 0.81 | ALDH1A1 (0.56) | ALDH1A1LMNATSHRNAAAHSD17B10 | |
| Butane SCHEMBL29166845 | 0.81 | LMNA (0.56) | ALDH1A1LMNATSHRNAAASMN1; SMN2 | |
| Acetone SCHEMBL28120499 | 0.81 | TSHR (0.50) | ALDH1A1LMNATSHRNAAACHRM1 | |
| SCHEMBL128684 | 0.81 | — | — | |
| SCHEMBL31019825 | 0.81 | LMNA (0.54) | ALDH1A1LMNATSHRNAAASMN1; SMN2 | |
| Acetic Acid Propyl Ester SCHEMBL9543174 | 0.81 | TSHR (0.41) | ALDH1A1LMNATSHRNAAAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5702928-A | ASYMMETRIC SYNTHESIS BY ESTER INTERCHANGE OR HYDROLYSIS CATALYZED BY MICROBIAL LIPASE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-30 | — | — | 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 |