Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL3726572 | 0.81 | NQO1 (0.43) | NQO1SLC22A12HPGDSPDE10APOLB | |
| SCHEMBL3730195 | 0.81 | AR (0.48) | NQO1SLC22A12AR | |
| SCHEMBL3727491 | 0.80 | SLC22A12 (0.38) | SLC22A12HPGDSFFAR1 | |
| SCHEMBL240556 | 0.79 | NQO1 (0.50) | NQO1HPGDSPDE10APOLBGAA | |
| SCHEMBL3721591 | 0.75 | TUBB4A (0.43) | POLBALDH1A1SMN1; SMN2MAPTKDM4E | |
| SCHEMBL3718985 | 0.75 | ADRA1A (0.39) | POLBALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL38657587 | 0.75 | ALDH1A1 (0.56) | POLBALDH1A1SMN1; SMN2MAPTKDM4E | |
| SCHEMBL3725866 | 0.74 | P2RX3 (0.40) | ALDH1A1MAPTKDM4EMEN1CASP1 | |
| Hydrochloric Acid SCHEMBL3722878 | 0.73 | MEN1 (0.40) | ALDH1A1MAPTKDM4EMEN1CASP1 | |
| SCHEMBL238425 | 0.73 | NQO1 (0.40) | NQO1HPGDSPDE10APOLBGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010097373-A1 | COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |