Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CD44 | P16070 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL411185 | 0.84 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP3A4CA2KDM4E | |
| SCHEMBL7771000 | 0.83 | ALDH1A1 (0.47) | ALDH1A1TDP1CYP3A4CA2KDM4E | |
| SCHEMBL28161302 | 0.83 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP3A4CA2KDM4E | |
| SCHEMBL28170298 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP3A4CA2KDM4E | |
| SCHEMBL7102381 | 0.79 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CA2KDM4ETSHR | |
| SCHEMBL11289745 | 0.76 | ALDH1A1 (0.40) | ALDH1A1TDP1CYP3A4CA2CD44 | |
| SCHEMBL4252594 | 0.76 | SKP2 (0.48) | TDP1CYP3A4CD44TSHRHTT | |
| Phosphoric Acid SCHEMBL15475373 | 0.76 | TSHR (0.40) | ALDH1A1CYP3A4CA2KDM4ETSHR | |
| SCHEMBL543510 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP3A4CA2KDM4E | |
| SCHEMBL22289762 | 0.75 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP3A4CA2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2820088-A1 | ELECTROWETTING FLUIDS | Merck Patent GmbH (DE) | 2015-01-07 | — | — | EP | disclosed |
| WO-2013127494-A1 | ELECTROWETTING FLUIDS | MERCK PATENT GMBH (DE) | 2013-09-06 | — | — | WO | disclosed |
| WO-1995011942-A1 | 3-DICYANOMETHYLIDENE-2,3-DIHYDROTHIOPHEN-1,1-DIOXIDE DERIVATIVES AS DISPERSE DYESTUFFS | ZENECA LIMITED (GB) | 1995-05-04 | — | — | WO | disclosed |