Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | OXTR | P30559 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.30 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.30 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.30 |
| ▸ | ITGAL | P20701 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3995657 | 0.79 | MAOA (0.38) | MAOAMAOBOXTRABCG2ITGB2 | |
| SCHEMBL29655819 | 0.72 | MAOA (0.39) | MAOAMAOBOXTRTSHRABCG2 | |
| SCHEMBL731982 | 0.72 | MAOA (0.39) | MAOAMAOBOXTRTSHRABCG2 | |
| SCHEMBL375376 | 0.72 | MAOA (0.39) | MAOAMAOBOXTRTSHRABCG2 | |
| SCHEMBL1724300 | 0.72 | MAOA (0.39) | MAOAMAOBOXTRTSHRABCG2 | |
| SCHEMBL4502914 | 0.69 | TSHR (0.42) | MAOAMAOBOXTRTSHRABCG2 | |
| SCHEMBL9119817 | 0.69 | TSHR (0.42) | MAOAMAOBOXTRTSHRABCG2 | |
| SCHEMBL124208 | 0.68 | MAOA (0.39) | MAOAMAOBOXTRTSHRABCG2 | |
| SCHEMBL654480 | 0.68 | MAOA (0.35) | MAOAMAOBOXTRABCG2ITGB2 | |
| SCHEMBL1724509 | 0.67 | MAOA (0.42) | MAOAMAOBOXTRTSHRABCG2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0481920-B1 | Benzoheterocyclylalkylaminoalkane diphosphonic acids | CIBA GEIGY AG (CH) | 1995-07-19 | — | — | EP | claimed |
| EP-0481920-A1 | Benzoheterocyclylalkylaminoalkane diphosphonic acids | CIBA-GEIGY AG (CH) | 1992-04-22 | — | — | EP | claimed |
| EP-0423728-B1 | Esters of castanospermine in the treatment of cerebral malaria | MERRELL DOW PHARMA (US) | 1995-08-30 | — | — | EP | disclosed |
| EP-0492841-B1 | Anti-herpes castanospermine esters | MERRELL DOW PHARMA (US) | 1995-08-16 | — | — | EP | disclosed |
| EP-0481920-B1 | Benzoheterocyclylalkylaminoalkane diphosphonic acids | CIBA GEIGY AG (CH) | 1995-07-19 | — | — | EP | disclosed |
| EP-0297534-B1 | Castanospermine esters and glycosides | MERRELL DOW PHARMA (US) | 1994-12-28 | — | — | EP | disclosed |
| EP-0309952-B1 | Anti-retroviral castanospermine esters | MERRELL DOW PHARMA (US) | 1994-06-22 | — | — | EP | disclosed |
| EP-0373663-B1 | Castanospermine esters in the inhibition of tumor metastasis | MERRELL DOW PHARMA (US) | 1993-10-27 | — | — | EP | disclosed |
| EP-0492841-A1 | Anti-herpes castanospermine esters | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-07-01 | — | — | EP | disclosed |
| EP-0481920-A1 | Benzoheterocyclylalkylaminoalkane diphosphonic acids | CIBA-GEIGY AG (CH) | 1992-04-22 | — | — | EP | disclosed |
| US-5004746-A | Anti-retroviral castanospermine esters | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-04-02 | — | — | US | disclosed |
| US-4952585-A | Castanospermine esters in the inhibition of tumor metastasis | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-08-28 | — | — | US | disclosed |