Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 5/20 | 0.35 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | CA9 | Q16790 | 5/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9943957 | 1.00 | PDK1 (0.41) | PDK1ALDH1A1NLRP3HSD17B10LMNA | |
| SCHEMBL9943958 | 1.00 | PDK1 (0.41) | PDK1ALDH1A1NLRP3HSD17B10LMNA | |
| SCHEMBL1263449 | 0.93 | PDK1 (0.37) | PDK1ALDH1A1NLRP3HSD17B10LMNA | |
| SCHEMBL20146253 | 0.93 | PDK1 (0.37) | PDK1ALDH1A1NLRP3HSD17B10LMNA | |
| SCHEMBL21662371 | 0.93 | PDK1 (0.37) | PDK1ALDH1A1NLRP3HSD17B10LMNA | |
| SCHEMBL20776490 | 0.84 | PDK1 (0.39) | PDK1ALDH1A1NLRP3HSD17B10LMNA | |
| SCHEMBL19047773 | 0.80 | PDK1 (0.36) | PDK1ALDH1A1NLRP3HSD17B10LMNA | |
| SCHEMBL13621081 | 0.80 | PDK1 (0.36) | PDK1ALDH1A1NLRP3HSD17B10LMNA | |
| SCHEMBL16126990 | 0.80 | PDK1 (0.36) | PDK1ALDH1A1NLRP3HSD17B10LMNA | |
| SCHEMBL17226048 | 0.79 | PDK1 (0.38) | PDK1ALDH1A1NLRP3HSD17B10LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655650-B1 | ENZYMATIC SYNTHESIS OF ACTIVE PHARMACEUTICAL INGREDIENT AND INTERMEDIATES THEREOF | LEK PHARMACEUTICALS (SI) | 2017-12-20 | — | — | EP | disclosed |
| US-20130337485-A1 | ENZYMATIC SYNTHESIS OF ACTIVE PHARMACEUTICAL INGREDIENT AND INTERMEDIATES THEREOF | LEK PHARMACEUTICALS D.D (SI) | 2013-12-19 | — | — | US | disclosed |
| EP-2655650-A2 | ENZYMATIC SYNTHESIS OF ACTIVE PHARMACEUTICAL INGREDIENT AND INTERMEDIATES THEREOF | LEK Pharmaceuticals d.d. (SI) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012095244-A2 | ENZYMATIC SYNTHESIS OF ACTIVE PHARMACEUTICAL INGREDIENT AND INTERMEDIATES THEREOF | LEK PHARMACEUTICALS D.D. (SI) | 2012-07-19 | — | — | WO | disclosed |
| EP-2465936-A1 | Enzymatic synthesis of statins and intermediates thereof | LEK Pharmaceuticals d.d. (SI) | 2012-06-20 | — | — | EP | disclosed |