Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.38 |
| ▸ | HTR2C | P28335 | 6/20 | 0.38 |
| ▸ | MAOA | P21397 | 4/20 | 0.38 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.38 |
| ▸ | CTRC | Q99895 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL826347 | 0.82 | CTRC (0.42) | HTR2AHTR2CMAOAMAOBFTO | |
| SCHEMBL15800545 | 0.77 | GABRA1 (0.43) | HTR2AHTR2CMAOAMAOBFTO | |
| SCHEMBL14824860 | 0.74 | HTR2A (0.38) | HTR2AHTR2CMAOAMAOBFTO | |
| SCHEMBL8799124 | 0.73 | MAOA (0.40) | HTR2AHTR2CMAOAMAOBFTO | |
| SCHEMBL3794946 | 0.72 | MTNR1A (0.51) | MAOAMAOBFTOMTNR1AMTNR1B | |
| SCHEMBL20651251 | 0.72 | ALDH1A1 (0.38) | MAOAMAOBFTO | |
| SCHEMBL12658946 | 0.71 | CTRC (0.48) | HTR2AHTR2CCTRCHTR1ADRD2 | |
| SCHEMBL5497618 | 0.69 | CYP3A4 (0.39) | HTR2AHTR2CMAOAMAOBFTO | |
| SCHEMBL24946157 | 0.69 | CTRC (0.37) | CTRC | |
| SCHEMBL12533388 | 0.69 | MAOA (0.34) | HTR2AHTR2CMAOAMAOBFTO |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2220046-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | GILEAD SCIENCES INC (US) | 2014-06-18 | — | — | EP | disclosed |
| EP-2220095-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | GILEAD SCIENCES INC (US) | 2013-01-02 | — | — | EP | disclosed |
| EP-2220076-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2012-01-18 | — | — | EP | disclosed |
| WO-2009062285-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-22 | — | — | WO | disclosed |
| WO-2009062289-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 |