Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL32896 | 0.74 | CYP3A4 (0.48) | ALDH1A1GAACYP2D6CYP3A4MPO | |
| SCHEMBL27148809 | 0.70 | SLC22A6 (0.50) | ALDH1A1GAACYP3A4CYP2A6HTR6 | |
| SCHEMBL28939777 | 0.69 | SLC22A6 (0.49) | ALDH1A1GAACYP3A4CYP2A6SLC22A6 | |
| SCHEMBL29557960 | 0.68 | PBRM1 (0.52) | ALDH1A1GAACYP3A4CYP2A6SLC22A6 | |
| SCHEMBL517162 | 0.68 | SLC22A6 (0.47) | ALDH1A1GAACYP3A4CYP2A6SLC22A6 | |
| SCHEMBL15415994 | 0.68 | PBRM1 (0.52) | ALDH1A1GAACYP3A4CYP2A6SLC22A6 | |
| SCHEMBL329511 | 0.68 | SLC22A6 (0.56) | ALDH1A1GAACYP3A4CYP2A6SLC22A6 | |
| SCHEMBL5513343 | 0.68 | SLC22A6 (0.47) | ALDH1A1GAACYP3A4CYP2A6SLC22A6 | |
| SCHEMBL3456728 | 0.67 | ALDH1A1 (0.38) | ALDH1A1GAACYP2D6CYP3A4MPO | |
| SCHEMBL30897299 | 0.67 | POLB (0.57) | ALDH1A1GAAHTR6MAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2255627-A2 | Fungicidal mixtures | BASF SE (DE) | 2010-12-01 | — | — | EP | disclosed |
| EP-2255630-A2 | Fungicidal mixtures | BASF SE (DE) | 2010-12-01 | — | — | EP | disclosed |
| EP-2255629-A2 | Fungicidal mixtures | BASF SE (DE) | 2010-12-01 | — | — | EP | disclosed |
| EP-2255628-A2 | Fungicidal mixtures | BASF SE (DE) | 2010-12-01 | — | — | EP | disclosed |