Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL606709 | 1.00 | TSHR (0.36) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL4908070 | 1.00 | TSHR (0.36) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL8231165 | 0.77 | TSHR (0.35) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL93137 | 0.76 | ALDH1A1 (0.38) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL16583132 | 0.76 | TSHR (0.38) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL8187643 | 0.74 | ALDH1A1 (0.36) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL28473558 | 0.74 | ALDH1A1 (0.36) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL7895364 | 0.74 | KDM4E (0.41) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL11289286 | 0.74 | CYP2C19 (0.52) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL8899156 | 0.73 | TSHR (0.37) | TSHRALDH1A1GAA |
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-2001032847-A9 | NOVEL ESTERASES DERIVED FROM PSEUDOMONAS AERUGINOSA, ITS GENE AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CARBOXYLIC ACIDS USING THEM | KOREA RES INST OF BIOSCIENCE (KR) | 2005-07-28 | — | — | WO | disclosed |
| WO-2001032847-A1 | NOVEL ESTERASES DERIVED FROM PSEUDOMONAS AERUGINOSA, ITS GENE AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CARBOXYLIC ACIDS USING THEM | KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) | 2001-05-10 | — | — | WO | disclosed |