Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | TOP1 | P11387 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1889820 | 0.86 | CA1 (0.50) | CA1CA2CA7CA9TOP1 | |
| SCHEMBL31369142 | 0.78 | CA1 (0.56) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL18048115 | 0.78 | CA1 (0.56) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL27801281 | 0.77 | TOP1 (0.42) | CA1CA2CA7CA9TOP1 | |
| SCHEMBL13518527 | 0.76 | CYP3A4 (0.53) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL4532731 | 0.76 | CYP3A4 (0.53) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL3899483 | 0.76 | CA1 (0.54) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL28575367 | 0.76 | CA1 (0.54) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL30487825 | 0.75 | CA1 (0.44) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL27762152 | 0.75 | CA1 (0.44) | CA1CA2CA7CA9CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101712648-B | Synthesis method of azepine anthraquinone | NANJING UNIVERSITY OF TECHNOLOGY | 2011-11-09 | — | — | CN | claimed |
| CN-101712648-A | Synthesis method of azepine anthraquinone | NANJING UNIVERSITY OF TECHNOLOGY | 2010-05-26 | — | — | CN | claimed |
| CN-101712648-B | Synthesis method of azepine anthraquinone | NANJING UNIVERSITY OF TECHNOLOGY | 2011-11-09 | — | — | CN | disclosed |
| CN-101712648-A | Synthesis method of azepine anthraquinone | NANJING UNIVERSITY OF TECHNOLOGY | 2010-05-26 | — | — | CN | disclosed |
| WO-2009146696-A1 | USE OF INDOLE-3-CARBOXYLIC ESTERS FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE | Universität Tübingen (DE) | 2009-12-10 | — | — | WO | disclosed |