Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
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 SCHEMBL433028 | 0.88 | P2RX7 (0.42) | ALDH1A1P2RX7KDM4EMAPTTP53 | |
| SCHEMBL434790 | 0.87 | OPRM1 (0.47) | ALDH1A1P2RX7KDM4EPOLBCCR3 | |
| Hydrochloric Acid SCHEMBL433923 | 0.87 | HSD11B1 (0.49) | ALDH1A1P2RX7KDM4EMAPTCCR3 | |
| SCHEMBL433860 | 0.85 | P2RX7 (0.55) | P2RX7TP53CYP2C9CYP2C19TRPA1 | |
| SCHEMBL435915 | 0.84 | P2RX7 (0.60) | ALDH1A1P2RX7KDM4EMAPTPOLB | |
| SCHEMBL433922 | 0.83 | SMN1; SMN2 (0.53) | ALDH1A1P2RX7TP53MEN1GLA | |
| SCHEMBL432970 | 0.83 | CYP1A2 (0.44) | ALDH1A1P2RX7MAPTTP53MEN1 | |
| SCHEMBL435241 | 0.82 | P2RX7 (0.42) | ALDH1A1P2RX7KDM4EMAPTPOLB | |
| Hydrochloric Acid SCHEMBL433170 | 0.82 | SMN1; SMN2 (0.52) | ALDH1A1P2RX7TP53MEN1GLA | |
| SCHEMBL433030 | 0.81 | SLC6A3 (0.45) | ALDH1A1P2RX7KDM4EMAPTMEN1 |
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 |