Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 6/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 6/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | CTSA | P10619 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3268188 | 0.83 | ADRA2A (0.53) | ADRA2AADRA2BADRA2CALDH1A1HPGD | |
| SCHEMBL4173490 | 0.80 | MCHR1 (0.44) | CA1CA2CA7CA9ADRA2A | |
| SCHEMBL2902952 | 0.80 | PDCD1 (0.46) | CA1CA2CA7CA9ADRA2A | |
| SCHEMBL2314987 | 0.80 | ADRA2A (0.44) | CA1CA2CA7CA9ADRA2A | |
| SCHEMBL28826439 | 0.79 | HTR1A (0.42) | CA1CA2CA7CA9ADRA2A | |
| SCHEMBL2090162 | 0.76 | ALOX5AP (0.44) | CA1CA2CA7CA9ADRA2A | |
| SCHEMBL17874338 | 0.75 | CA1 (0.46) | CA1CA2CA7CA9ADRA2A | |
| SCHEMBL13376487 | 0.75 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CALDH1A1HPGD | |
| SCHEMBL3632568 | 0.74 | IRAK4 (0.50) | CA1CA2CA7CA9ADRA2A | |
| SCHEMBL31634047 | 0.74 | IRAK4 (0.50) | CA1CA2CA7CA9ADRA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2152080-A1 | NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF | The Regents of the University of Michigan (US) | 2010-02-17 | — | — | EP | claimed |
| WO-2008133635-A1 | NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2008-11-06 | — | — | WO | claimed |