Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 6/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15880493 | 0.78 | CA2 (0.44) | CA2HTR2CMAOBCA12CA9 | |
| SCHEMBL2087967 | 0.75 | MAOB (0.44) | CA2HTR2CALDH1A1KDM4EMAOB | |
| SCHEMBL29857892 | 0.75 | MAOB (0.44) | CA2HTR2CALDH1A1KDM4EMAOB | |
| SCHEMBL11813345 | 0.73 | ALDH1A1 (0.55) | ALDH1A1HPGDKDM4EBRD4MAPT | |
| SCHEMBL4015215 | 0.72 | MAOB (0.46) | CA2HTR2CMAOBCA12TSHR | |
| SCHEMBL2087127 | 0.72 | CA2 (0.51) | CA2MAOBCA12CA9MAOA | |
| SCHEMBL4023068 | 0.72 | CA2 (0.44) | CA2HTR2CMAOBCA12CA9 | |
| SCHEMBL2878189 | 0.71 | SCN1A (0.59) | CA2ALDH1A1HPGDKDM4EBRD4 | |
| Hydrochloric Acid SCHEMBL28047291 | 0.70 | MAOB (0.44) | CA2HTR2CMAOBCA12CA9 | |
| SCHEMBL31678985 | 0.69 | TSHR (0.46) | CA2ALDH1A1HPGDKDM4EMAOB |
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-6331637-B1 | N-Alkyl, N-Alkenyl, N-Alkynyl, N-Aryl and N-fused bicyclo or tricyclo thienyl-, furyl-,and Pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin | TEXAS BIOTECHNOLOGY CORPORATION | 2001-12-18 | — | — | US | disclosed |