Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4586654 | 0.86 | TSHR (0.54) | TSHRALDH1A1MAPTMAOBKDM4E | |
| SCHEMBL6056716 | 0.84 | TSHR (0.52) | TSHRRAB9ANPC1AGXTALDH1A1 | |
| SCHEMBL9443647 | 0.84 | TSHR (0.52) | TSHRRAB9ANPC1ALDH1A1MAOB | |
| SCHEMBL1238316 | 0.84 | TSHR (0.56) | TSHRALDH1A1 | |
| SCHEMBL27660972 | 0.83 | TSHR (0.50) | TSHRALDH1A1MAPTKDM4E | |
| SCHEMBL3765408 | 0.83 | TSHR (0.50) | TSHRRAB9ANPC1AGXTALDH1A1 | |
| SCHEMBL4668174 | 0.82 | CA12 (0.56) | TSHRRAB9ANPC1CA1CA2 | |
| SCHEMBL14227633 | 0.81 | TSHR (0.50) | TSHRRAB9ANPC1AGXTCA1 | |
| SCHEMBL6056652 | 0.81 | MAOB (0.49) | TSHRRAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL10937278 | 0.81 | RXRA (0.50) | TSHRRAB9ANPC1ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7664625-B2 | Molecular modeling for metalloproteins | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2010-02-16 | — | — | US | disclosed |
| US-20040148149-A1 | Molecular modeling for metalloproteins | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH, A MINNESOTA CORPORATION | 2004-07-29 | — | — | US | disclosed |
| JP-2002348296-A | METHOD FOR PRODUCING ARYLMETHYLPHOSPHONATE DERIVATIVE | HODOGAYA CHEM CO LTD | 2002-12-04 | — | — | JP | disclosed |
| WO-2002070469-A2 | SELECTIVE PDE3B INHIBITORS AND USE OF THE SAME IN THERAPY | ICOS CORPORATION (US) | 2002-09-12 | — | — | WO | disclosed |
| WO-2000078938-A9 | MOLECULAR MODELING FOR METALLOPROTEINS | MAYO FOUNDATION (US) | 2001-08-09 | — | — | WO | disclosed |
| WO-2000078938-A1 | MOLECULAR MODELING FOR METALLOPROTEINS | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2000-12-28 | — | — | WO | disclosed |
| US-5728500-A | ELECTROGRAPHY FOR ELECTROLUMINESCENT DEVICE | HODOGAYA CHEMICAL CO., LTD. (JP) | 1998-03-17 | — | — | US | disclosed |