Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | PPARD | Q03181 | 1/20 | 0.50 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.50 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28238506 | 0.86 | LCK (0.57) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL28238495 | 0.84 | LCK (0.61) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL4656310 | 0.79 | TET2 (0.52) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL14893946 | 0.79 | TET2 (0.52) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL16187177 | 0.79 | TET2 (0.52) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL24327258 | 0.78 | ALDH1A1 (0.41) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL2776377 | 0.78 | ALDH1A1 (0.61) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL5965619 | 0.78 | ALDH1A1 (0.61) | LCKPPARDZDHHC20ZDHHC2ALDH1A1 | |
| SCHEMBL28409342 | 0.76 | — | — | |
| SCHEMBL1421677 | 0.76 | ALDH1A1 (0.50) | ALDH1A1LMNASLC15A2CYP1A2CHRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458988-B | Heterocycle-butanamide derivatives | 默克专利股份公司 | 2019-12-03 | — | — | CN | disclosed |
| CN-107709323-A | Oxipurinol class compound and its application | 广东众生药业股份有限公司 | 2018-02-16 | — | — | CN | disclosed |
| EP-1723119-A1 | ION CHANNEL MODULATORS | Wyeth a Corporation of the State of Delaware (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005087747-A1 | ION CHANNEL MODULATORS | WYETH (US) | 2005-09-22 | — | — | WO | disclosed |