Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL15723555 | 1.00 | CA12 (0.48) | CA12CA2CA9CA1TSHR | |
| Phosphine SCHEMBL28540811 | 0.97 | CA12 (0.46) | CA12CA2CA9CA1TSHR | |
| SCHEMBL26967530 | 0.91 | CA12 (0.42) | CA12CA2CA9CA1TSHR | |
| SCHEMBL23458337 | 0.85 | CA12 (0.42) | CA12CA2CA9CA1TSHR | |
| SCHEMBL28773274 | 0.85 | CA12 (0.42) | CA12CA2CA9CA1TSHR | |
| SCHEMBL23458094 | 0.83 | CA12 (0.47) | CA12CA2CA9CA1TSHR | |
| SCHEMBL2448642 | 0.81 | CA12 (0.48) | CA12CA2CA9CA1TSHR | |
| SCHEMBL15603424 | 0.81 | CA12 (0.48) | CA12CA2CA9CA1TSHR | |
| Phosphine SCHEMBL28550953 | 0.79 | CA12 (0.46) | CA12CA2CA9CA1TSHR | |
| SCHEMBL17710568 | 0.79 | CA12 (0.50) | CA12CA2CA9CA1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1790639-B1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS | ONO PHARMACEUTICAL CO (JP) | 2014-03-26 | — | — | EP | disclosed |
| EP-0685234-B1 | DRUG COMPOSITION CONTAINING NUCLEIC ACID COPOLYMER | NIPPON SHINYAKU CO LTD (JP) | 2000-05-10 | — | — | EP | disclosed |
| US-6020317-A | Glycerol derivative, device and pharmaceutical composition | NIPPON SHINYAKU CO. LTD. (JP) | 2000-02-01 | — | — | US | disclosed |
| EP-0685457-B1 | GLYCEROL DERIVATIVE, DEVICE AND PHARMACEUTICAL COMPOSITION | NIPPON SHINYAKU CO LTD (JP) | 1999-12-15 | — | — | EP | disclosed |
| US-5705188-A | LIPID MIXTURE, ANTITUMOR AGENTS | NIPPON SHINYAKU COMPANY, LTD. (JP) | 1998-01-06 | — | — | US | disclosed |
| EP-0685457-A1 | GLYCEROL DERIVATIVE, DEVICE AND PHARMACEUTICAL COMPOSITION | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1995-12-06 | — | — | EP | disclosed |
| EP-0685234-A1 | DRUG COMPOSITION CONTAINING NUCLEIC ACID COPOLYMER | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1995-12-06 | — | — | EP | disclosed |