Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 5/20 | 0.50 |
| ▸ | KCNQ3 | O43525 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1826738 | 0.81 | KCNQ2 (0.60) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15004036 | 0.79 | KCNQ2 (0.63) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29754311 | 0.75 | KCNQ3 (0.79) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10791137 | 0.75 | KCNQ3 (0.79) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL10790424 | 0.74 | KCNQ3 (0.77) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21623758 | 0.74 | ALDH1A1 (0.50) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20654769 | 0.74 | CYP1A2 (0.62) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14638232 | 0.73 | PKM (0.50) | KCNQ2CYP1A2CYP2C9CYP2C19NFKB1 | |
| SCHEMBL19700168 | 0.71 | KCNQ2 (0.45) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 | |
| Maleic Acid SCHEMBL5381020 | 0.71 | ALDH1A1 (0.63) | KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4778799-A | ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY AGENT | TIBES ULRICH (DE) | 1988-10-18 | — | — | US | disclosed |