Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5663585 | 0.88 | KCNA5 (0.51) | ALDH1A1CYP1A2TSHRKCNA5CYP2D6 | |
| SCHEMBL5664800 | 0.88 | ALDH1A1 (0.48) | ALDH1A1CYP1A2TSHRKCNA5CYP2D6 | |
| SCHEMBL5664615 | 0.86 | KCNA5 (0.46) | ALDH1A1CYP1A2TSHRKCNA5CYP2D6 | |
| SCHEMBL5666578 | 0.85 | KCNA5 (0.44) | ALDH1A1CYP1A2TSHRKCNA5CYP2D6 | |
| SCHEMBL5664717 | 0.84 | HPGD (0.51) | ALDH1A1CYP1A2TSHRCYP2C19MEN1 | |
| SCHEMBL5665187 | 0.82 | ALDH1A1 (0.43) | ALDH1A1CYP1A2TSHRKCNA5CYP2D6 | |
| SCHEMBL5664937 | 0.81 | KCNA5 (0.51) | ALDH1A1CYP1A2TSHRKCNA5CYP2D6 | |
| SCHEMBL3243742 | 0.78 | SMN1; SMN2 (0.62) | ALDH1A1CYP1A2TSHRKCNA5KCNH2 | |
| Hydrochloric Acid SCHEMBL5966969 | 0.77 | SMN1; SMN2 (0.61) | ALDH1A1CYP1A2TSHRKCNA5KCNH2 | |
| SCHEMBL4986798 | 0.76 | SMN1; SMN2 (0.44) | ALDH1A1CYP1A2CYP2D6MEN1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1716137-A1 | SUBSTITUTED QUINOLINE COMPOUNDS | Pfizer Products Incorporated (US) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005080373-A1 | SUBSTITUTED QUINOLINE COMPOUNDS | PFIZER PRODUCTS INC. (US) | 2005-09-01 | — | — | WO | disclosed |