Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PTPRC | P08575 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.45 |
| ▸ | TOP2A | P11388 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7813560 | 0.82 | MAOA (0.53) | MAOAALDH1A1PTPRCCTSLCTSS | |
| SCHEMBL7811209 | 0.82 | MAOA (0.53) | MAOAALDH1A1PTPRCCTSLCTSS | |
| SCHEMBL7804497 | 0.82 | MAOA (0.53) | MAOAALDH1A1PTPRCCTSLCTSS | |
| SCHEMBL7804334 | 0.78 | MAOA (0.53) | MAOAALDH1A1KMT2A | |
| Sampangine SCHEMBL6230423 | 0.75 | MAOA (0.74) | MAOAALDH1A1PTPRCCTSLCTSS | |
| Benzosampangine SCHEMBL20259217 | 0.73 | TOP2A (0.79) | MAOAALDH1A1PTPRCCTSLCTSS | |
| Benzosampangine SCHEMBL29601408 | 0.73 | TOP2A (0.79) | MAOAALDH1A1PTPRCCTSLCTSS | |
| SCHEMBL25380689 | 0.69 | MAOA (0.75) | MAOAALDH1A1PTPRCCTSLCTSS | |
| SCHEMBL29869412 | 0.69 | MAOA (0.75) | MAOAALDH1A1PTPRCCTSLCTSS | |
| SCHEMBL1969983 | 0.69 | MAOA (1.00) | MAOAALDH1A1PTPRCCTSLCTSS |
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-0588796-B1 | SAMPANGINE DERIVATIVES USEFUL AS ANTIFUNGAL AND ANTIMYCOBACTERIAL AGENTS | UNIV MISSISSIPPI (US) | 2001-04-04 | — | — | EP | disclosed |
| US-5530004-A | ADMINISTERING SAMPANGINE AND CLEISTOPHOLINE ANALOGS | THE UNIVERSITY OF MISSISSIPPI (US) | 1996-06-25 | — | — | US | disclosed |
| US-5227383-A | Sampangine analogs | THE UNIVERSITY OF MISSISSIPPI (US) | 1993-07-13 | — | — | US | disclosed |