Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.48 |
| ▸ | HTR1B | P28222 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | EPM2A | O95278 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.40 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.40 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.39 |
| ▸ | WNT3A | P56704 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16924214 | 0.79 | HTR1B (0.47) | CA2HTR1BCA1CYP2A6CA12 | |
| SCHEMBL27689608 | 0.76 | HTR1B (0.53) | CA2HTR1BCYP2A6DYRK1ACDK9 | |
| SCHEMBL111709 | 0.76 | CA2 (0.55) | CA2HTR1BCA1CA5ACA9 | |
| SCHEMBL31164857 | 0.76 | CA2 (0.55) | CA2HTR1BCA1CA5ACA9 | |
| SCHEMBL8628259 | 0.73 | HTR1B (0.44) | CA2HTR1BCYP2A6CA12EPM2A | |
| SCHEMBL9075377 | 0.73 | CA2 (0.51) | CA2CA1CA5ACA9CYP2A6 | |
| SCHEMBL6186816 | 0.73 | CYP2A6 (0.56) | CA2HTR1BCYP2A6DYRK1ACDK9 | |
| SCHEMBL29952165 | 0.73 | CYP2A6 (0.56) | CA2HTR1BCYP2A6DYRK1ACDK9 | |
| SCHEMBL4451104 | 0.73 | HTR1B (0.50) | CA2HTR1BCA1CA5ACA9 | |
| SCHEMBL5809234 | 0.72 | CTNNB1 (0.48) | CA2HTR1BCYP2A6EPM2APTPRC |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3283077-A2 | BROMODOMAIN INHIBITOR | Celgene Quanticel Research, Inc. (US) | 2018-02-21 | — | — | EP | disclosed |
| WO-2016168682-A2 | BROMODOMAIN INHIBITOR | CELGENE QUANTICEL RESEARCH, INC. (US) | 2016-10-20 | — | — | WO | disclosed |
| EP-2595978-A1 | NOVEL PROCESS FOR THE PREPARATION OF DRONEDARONE | SANOFI (FR) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010913-A1 | NOVEL PROCESS FOR THE PREPARATION OF DRONEDARONE | SANOFI (FR) | 2012-01-26 | — | — | WO | disclosed |