Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9437458 | 1.00 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2POLBHPGDRECQL | |
| SCHEMBL25095078 | 0.84 | HPGD (0.57) | ALDH1A1SMN1; SMN2HPGDRECQLMMP2 | |
| SCHEMBL31689432 | 0.84 | NOS3 (0.61) | ALDH1A1SMN1; SMN2POLBRECQLNOS3 | |
| Hydrochloric Acid SCHEMBL7744800 | 0.83 | HPGD (0.56) | ALDH1A1SMN1; SMN2HPGDRECQLMMP2 | |
| SCHEMBL9175958 | 0.82 | TOP2A (0.46) | ALDH1A1SMN1; SMN2POLBHPGDNOS3 | |
| SCHEMBL31753168 | 0.81 | SLC7A5 (0.42) | ALDH1A1SMN1; SMN2NOS3NOS1NOS2 | |
| SCHEMBL11420231 | 0.80 | NR3C1 (0.49) | ALDH1A1SMN1; SMN2POLBHPGDNOS3 | |
| SCHEMBL12440452 | 0.79 | POLB (0.50) | ALDH1A1SMN1; SMN2POLBHPGDRECQL | |
| SCHEMBL20543766 | 0.78 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2POLBHPGDNOS3 | |
| SCHEMBL21117864 | 0.78 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2POLBHPGDNOS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5298492-A | Inhibitors of endopeptidase and treatment of cardiovascular disorders | SCHERING CORPORATION (US) | 1994-03-29 | — | — | US | disclosed |