Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 4/20 | 0.55 |
| ▸ | KCNQ2 | O43526 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL15714933 | 0.84 | KCNQ3 (0.55) | KCNQ3KCNQ2HSD17B10ABCB11ESR1 | |
| SCHEMBL4890687 | 0.83 | KCNQ3 (0.72) | KCNQ3KCNQ2HSD17B10ABCB11ESR1 | |
| SCHEMBL8046357 | 0.82 | HSD17B10 (0.48) | KCNQ3KCNQ2HSD17B10ABCB11ESR1 | |
| Hydrochloric Acid SCHEMBL10786035 | 0.82 | KCNQ3 (0.71) | KCNQ3KCNQ2HSD17B10ABCB11ESR1 | |
| Hydrochloric Acid SCHEMBL31741641 | 0.82 | KCNQ3 (0.71) | KCNQ3KCNQ2HSD17B10ABCB11ESR1 | |
| SCHEMBL15715274 | 0.81 | MAPT (0.48) | KCNQ3KCNQ2HSD17B10ABCB11ESR1 | |
| SCHEMBL963638 | 0.79 | KCNQ3 (0.48) | KCNQ3KCNQ2HSD17B10ABCB11ESR1 | |
| SCHEMBL317275 | 0.76 | KCNQ3 (0.55) | KCNQ3KCNQ2HSD17B10ABCB11ESR1 | |
| SCHEMBL9952486 | 0.74 | KCNQ3 (0.70) | KCNQ3KCNQ2HSD17B10ABCB11ESR1 | |
| SCHEMBL12505604 | 0.74 | KCNQ3 (0.74) | KCNQ3KCNQ2HSD17B10ABCB11ESR1 |
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-2014068459-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF PAIN AND NEUROLOGICAL DISEASES | KANDULA MAHESH (IN) | 2014-05-08 | — | — | WO | disclosed |