Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 3/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 7/20 | 0.54 |
| ▸ | TP53 | P04637 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL433923 | 0.91 | HSD11B1 (0.49) | P2RX7TP53CYP2C9CYP2C19LMNA | |
| SCHEMBL433922 | 0.87 | SMN1; SMN2 (0.53) | P2RX7TRPA1TP53CYP2C9CYP2C19 | |
| SCHEMBL432970 | 0.87 | CYP1A2 (0.44) | P2RX7TRPA1TP53CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL433170 | 0.86 | SMN1; SMN2 (0.52) | P2RX7TRPA1TP53CYP2C9CYP2C19 | |
| SCHEMBL435915 | 0.86 | P2RX7 (0.60) | P2RX7TP53LMNA | |
| SCHEMBL435467 | 0.85 | ALDH1A1 (0.44) | P2RX7TRPA1TP53CYP2C9CYP2C19 | |
| SCHEMBL434779 | 0.84 | POLB (0.52) | P2RX7TP53CYP2D6LMNA | |
| SCHEMBL434790 | 0.82 | OPRM1 (0.47) | P2RX7TRPA1CYP2D6 | |
| SCHEMBL434036 | 0.81 | TP53 (0.54) | TP53LMNA | |
| SCHEMBL4963409 | 0.81 | TRPA1 (0.52) | TRPA1CYP3A4CYP2C8CYP2D6CYP2C9 |
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-2012012410-A2 | KAPPA OPIOID RECEPTOR AGONISTS | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-01-26 | — | — | WO | disclosed |