Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19202620 | 0.86 | CNR1 (0.38) | PARP1ALDH1A1PIM1KIF11MEN1 | |
| SCHEMBL8353651 | 0.85 | PARP1 (0.57) | PARP1GAAKDM4EALDH1A1HPGD | |
| SCHEMBL764037 | 0.82 | ALDH1A1 (0.49) | PARP1GAAKDM4EALDH1A1HPGD | |
| SCHEMBL19140615 | 0.81 | TAAR1 (0.37) | GAACYP2A6 | |
| SCHEMBL21213763 | 0.81 | TAAR1 (0.41) | MEN1KMT2A | |
| SCHEMBL22356713 | 0.81 | ESR1 (0.36) | GAA | |
| SCHEMBL27444970 | 0.80 | PARP1 (0.41) | PARP1GAAKDM4EALDH1A1HPGD | |
| SCHEMBL14470102 | 0.73 | PARP1 (0.48) | PARP1KDM4EALDH1A1TRPA1IGF1R | |
| SCHEMBL16015727 | 0.73 | PARP1 (0.44) | PARP1GAAKDM4EALDH1A1HPGD | |
| SCHEMBL2056366 | 0.73 | PARP1 (0.77) | PARP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7297793-B2 | Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors | G.D. SEARLE, LLC (US) | 2007-11-20 | — | — | US | disclosed |
| US-7297793-B2 | Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors | G.D. SEARLE, LLC (US) | 2007-11-20 | — | — | US | disclosed |