Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6937812 | 0.79 | SLC10A2 (0.37) | CA1CA2CA9MAPTSLC10A2 | |
| SCHEMBL6936648 | 0.75 | CYP19A1 (0.40) | CYP19A1MAPTHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL6342196 | 0.72 | CYP19A1 (0.37) | CYP19A1MAPT | |
| SCHEMBL8180505 | 0.71 | CYP19A1 (0.42) | CYP19A1MAPTALDH1A1KDM4E | |
| SCHEMBL7132538 | 0.65 | GAA (0.42) | CYP19A1CA1CA2CA9HTT | |
| SCHEMBL7434488 | 0.64 | CYP1A2 (0.40) | CA9MAPTHTTALDH1A1 | |
| SCHEMBL7434324 | 0.63 | ALDH1A1 (0.38) | CA1CA2CA9MAPTHTT | |
| SCHEMBL14228900 | 0.60 | CA12 (0.62) | CA1CA2CA9MAPTHTT | |
| SCHEMBL11117458 | 0.60 | LMNA (0.58) | CA1CA9MAPTHTTALDH1A1 | |
| Dinitrophenylene SCHEMBL27897921 | 0.59 | TSHR (0.71) | MAPTHTTALDH1A1SMN1; SMN2NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0915087-B1 | Sulfonamide substituted fused five-membered ring compounds, their use as medicaments as well as pharmaceutical compositions containing them | AVENTIS PHARMA GMBH (DE) | 2003-04-02 | — | — | EP | disclosed |
| US-6015822-A | ANTIULCER, ANTIDIARRHEA, AND ANTIARRHYTHMIA AGENTS; CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS | HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) | 2000-01-18 | — | — | US | disclosed |
| EP-0915087-A2 | Sulfonamide substituted fused five-membered ring compounds, their use as medicaments as well as pharmaceutical compositions containing them | Hoechst Marion Roussel Deutschland GmbH (DE) | 1999-05-12 | — | — | EP | disclosed |