Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | DGKA | P23743 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9598280 | 0.89 | GAA (0.41) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL31538699 | 0.80 | CYP1A2 (0.41) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL9461850 | 0.79 | GAA (0.54) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL4811640 | 0.79 | MGAM (0.43) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL1195198 | 0.77 | CYP1A2 (0.39) | CYP1A2GAAMGAMSIMGAM2 | |
| Hexane SCHEMBL1234791 | 0.77 | MGAM (0.44) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL8308112 | 0.77 | ALDH1A1 (0.53) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL6806491 | 0.77 | ALDH1A1 (0.53) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL6809972 | 0.77 | ALDH1A1 (0.53) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL882565 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TP53CES2CES1 |
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-7157253-B2 | Method for the production of (r)- and (S)-8-chloro-6-hydroxyoctanic acid alkyl esters by enzymatic reduction | VIATRIS GMBH & CO. KG (DE) | 2007-01-02 | — | — | US | disclosed |
| US-20050032180-A1 | Method for the production of (r)-and (s)-8-chloro-6-hydroxy-octanic acid alkyl esters by enzymatic reduction | VIATRIS GMBH & CO. KG (DE) | 2005-02-10 | — | — | US | disclosed |