Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 3/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 2/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9639723 | 1.00 | GBA1 (0.38) | GBA1EPHX2ALDH1A1TDP1NAAA | |
| SCHEMBL16512794 | 0.90 | CYP1A2 (0.35) | GBA1EPHX2NAAATSHRSMN1; SMN2 | |
| SCHEMBL10619787 | 0.84 | CYP1A2 (0.42) | GBA1EPHX2NAAA | |
| SCHEMBL10619790 | 0.84 | CYP1A2 (0.42) | GBA1EPHX2NAAA | |
| SCHEMBL898896 | 0.83 | GBA1 (0.43) | GBA1EPHX2ALDH1A1TDP1NAAA | |
| SCHEMBL10692609 | 0.83 | GBA1 (0.46) | GBA1EPHX2ALDH1A1TDP1MEN1 | |
| SCHEMBL10450667 | 0.82 | TLR4 (0.33) | GBA1EPHX2 | |
| SCHEMBL10450365 | 0.82 | CYP1A2 (0.41) | GBA1EPHX2HTTMAPTMAPK1 | |
| SCHEMBL10450842 | 0.82 | TLR4 (0.33) | GBA1EPHX2 | |
| SCHEMBL10450199 | 0.82 | CYP1A2 (0.37) | GBA1EPHX2NAAAMEN1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0271432-B1 | Racemate cleavage of 3-acyloxy-bicyclo[3.3.0]octan-7-on-2-carboxylic-acid esters by stereospecific enzymatic or microbiological acylate hydrolysis | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-09-16 | — | — | EP | claimed |
| US-4894336-A | Racemic dissociation of 3-acyloxy bicyclo(3.3.0)octan-7-one-2-carboxylic acid esters by stereospecific enzymatic or microbiological acylate hydrolysis | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-01-16 | — | — | US | claimed |