Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 5/20 | 0.40 |
| ▸ | HTR2A | P28223 | 4/20 | 0.40 |
| ▸ | HTR2B | P41595 | 4/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 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 | |
|---|---|---|---|---|
| SCHEMBL24075137 | 0.85 | HCRTR2 (0.50) | HCRTR2HTR2CHTR2AHTR2BAHR | |
| SCHEMBL18512270 | 0.85 | HCRTR2 (0.50) | HCRTR2HTR2CHTR2AHTR2BAHR | |
| SCHEMBL24075753 | 0.85 | HCRTR2 (0.50) | HCRTR2HTR2CHTR2AHTR2BAHR | |
| SCHEMBL24866905 | 0.81 | MAP3K14 (0.65) | MAP3K14TAAR1HTR2CHTR2AHTR2B | |
| SCHEMBL24866897 | 0.81 | MAP3K14 (0.65) | MAP3K14TAAR1HTR2CHTR2AHTR2B | |
| SCHEMBL6897677 | 0.79 | MAP3K14 (0.53) | MAP3K14TAAR1HCRTR2HTR2C | |
| SCHEMBL21933120 | 0.78 | TOP2A (0.42) | HCRTR2HTR2CCYP19A1TOP2A | |
| SCHEMBL6327487 | 0.78 | TOP2A (0.42) | HCRTR2HTR2CCYP19A1TOP2A | |
| SCHEMBL30456628 | 0.78 | TOP2A (0.42) | HCRTR2HTR2CCYP19A1TOP2A | |
| SCHEMBL16448787 | 0.77 | CYP3A4 (0.48) | HTR2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2220076-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2012-01-18 | — | — | EP | disclosed |
| WO-2009062288-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-22 | — | — | WO | disclosed |
| WO-2009062308-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-22 | — | — | WO | disclosed |