Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | HTR2A | P28223 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HTR2C | P28335 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 3/20 | 0.46 |
| ▸ | HTR6 | P50406 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30433668 | 0.81 | KCNH2 (1.00) | KCNH2CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL2168557 | 0.81 | KCNH2 (1.00) | KCNH2CYP3A4CYP2D6CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL29651421 | 0.81 | KCNH2 (1.00) | KCNH2CYP3A4CYP2D6CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL9444378 | 0.81 | KCNH2 (1.00) | KCNH2CYP3A4CYP2D6CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL6375711 | 0.80 | KCNH2 (0.96) | KCNH2CYP3A4CYP2D6CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL9732116 | 0.79 | KCNH2 (0.62) | KCNH2CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL9444258 | 0.78 | KCNH2 (0.78) | KCNH2CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL6396163 | 0.76 | KCNH2 (0.58) | KCNH2CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL9444488 | 0.76 | KCNH2 (0.89) | KCNH2CYP3A4CYP2D6CYP2C19KDM4E | |
| SCHEMBL9471225 | 0.73 | KCNH2 (0.51) | KCNH2CYP3A4CYP2D6CYP2C19KDM4E |
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-2013075176-A1 | COMPOSITIONS AND METHODS FOR MODULATING UTERINE CONTRACTIONS | NEWCASTLE INNOVATION LIMITED (AU) | 2013-05-30 | — | — | WO | disclosed |