Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5205282 | 0.83 | CA12 (0.49) | SMN1; SMN2ABCB1KDM4EALDH1A1GAA | |
| SCHEMBL3460333 | 0.83 | ALDH1A1 (0.52) | SMN1; SMN2ABCB1KDM4EALDH1A1GAA | |
| SCHEMBL8119377 | 0.83 | ALDH1A1 (0.46) | SMN1; SMN2ABCB1KDM4EALDH1A1GAA | |
| SCHEMBL30681592 | 0.83 | ALDH1A1 (0.52) | SMN1; SMN2ABCB1KDM4EALDH1A1GAA | |
| SCHEMBL900889 | 0.82 | AOC3 (0.50) | SMN1; SMN2KDM4EALDH1A1GAAPOLB | |
| SCHEMBL15265704 | 0.82 | IDO1 (0.53) | SMN1; SMN2ALDH1A1GAACA12CA1 | |
| SCHEMBL400747 | 0.80 | IDO1 (0.50) | SMN1; SMN2ABCB1KDM4EALDH1A1GAA | |
| SCHEMBL3306584 | 0.79 | SMN1; SMN2 (0.54) | SMN1; SMN2ABCB1KDM4EALDH1A1GAA | |
| SCHEMBL464374 | 0.78 | CA12 (0.54) | SMN1; SMN2ABCB1KDM4EALDH1A1GAA | |
| SCHEMBL6856486 | 0.77 | CA12 (0.54) | SMN1; SMN2ABCB1KDM4EALDH1A1GAA |
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-4176184-A | CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS | BOEHRINGER INGELHEIM GMBH (DE) | 1979-11-27 | — | — | US | disclosed |