Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | PRKAA2 | P54646 | 9/20 | 0.49 |
| ▸ | PRKAB2 | O43741 | 4/20 | 0.49 |
| ▸ | PRKAG1 | P54619 | 4/20 | 0.49 |
| ▸ | PRKAA1 | Q13131 | 4/20 | 0.49 |
| ▸ | PRKAG3 | Q9UGI9 | 4/20 | 0.49 |
| ▸ | PRKAG2 | Q9UGJ0 | 4/20 | 0.49 |
| ▸ | PRKAB1 | Q9Y478 | 4/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.45 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 SCHEMBL7869105 | 0.99 | ALDH1A1 (0.54) | ALDH1A1POLBPRKAA2PRKAB2PRKAG1 | |
| SCHEMBL8495152 | 0.89 | PRKAA2 (0.49) | ALDH1A1POLBPRKAA2PRKAB2PRKAG1 | |
| Hydrochloric Acid SCHEMBL7869766 | 0.88 | PRKAA2 (0.48) | ALDH1A1POLBPRKAA2PRKAB2PRKAG1 | |
| SCHEMBL8490808 | 0.87 | PRKAA2 (0.47) | ALDH1A1POLBPRKAA2PRKAB2PRKAG1 | |
| SCHEMBL8494379 | 0.87 | ALDH1A1 (0.50) | ALDH1A1POLBPRKAA2PRKAB2PRKAG1 | |
| Hydrochloric Acid SCHEMBL7873120 | 0.86 | ALDH1A1 (0.47) | ALDH1A1POLBPRKAA2PRKAB2PRKAG1 | |
| Hydrochloric Acid SCHEMBL7868136 | 0.86 | ALDH1A1 (0.47) | ALDH1A1POLBPRKAA2PRKAB2PRKAG1 | |
| Hydrochloric Acid SCHEMBL7873105 | 0.86 | ALDH1A1 (0.47) | ALDH1A1POLBPRKAA2PRKAB2PRKAG1 | |
| Hydrochloric Acid SCHEMBL7861545 | 0.86 | ALDH1A1 (0.52) | ALDH1A1POLBPRKAA2PRKAB2PRKAG1 | |
| SCHEMBL7861446 | 0.85 | DRD3 (0.55) | ALDH1A1POLBPRKAA2PRKAB2PRKAG1 |
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-1999058526-A1 | NOVEL 2,5-PYRIDINEDICARBOXYLIC ACID DERIVATIVES | DONG WHA PHARM. IND. CO., LTD. (KR) | 1999-11-18 | — | — | WO | disclosed |