Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 5/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 4/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL4681356 | 1.00 | SLC6A4 (0.36) | SLC6A4SLC6A2SLC6A3HTR2COPRM1 | |
| SCHEMBL13720136 | 1.00 | SLC6A4 (0.36) | SLC6A4SLC6A2SLC6A3HTR2COPRM1 | |
| SCHEMBL13720388 | 1.00 | SLC6A4 (0.36) | SLC6A4SLC6A2SLC6A3HTR2COPRM1 | |
| SCHEMBL13720416 | 1.00 | SLC6A4 (0.36) | SLC6A4SLC6A2SLC6A3HTR2COPRM1 | |
| SCHEMBL13720491 | 0.89 | PDK2 (0.37) | SLC6A4SLC6A2SLC6A3HTR2CRORC | |
| SCHEMBL4019257 | 0.85 | SLC6A2 (0.39) | SLC6A4SLC6A2SLC6A3HTR2COPRM1 | |
| SCHEMBL4028181 | 0.85 | SLC6A2 (0.39) | SLC6A4SLC6A2SLC6A3HTR2COPRM1 | |
| SCHEMBL4024571 | 0.85 | SLC6A2 (0.39) | SLC6A4SLC6A2SLC6A3HTR2COPRM1 | |
| SCHEMBL4025554 | 0.85 | SLC6A2 (0.39) | SLC6A4SLC6A2SLC6A3HTR2COPRM1 | |
| SCHEMBL13720695 | 0.82 | SLC6A2 (0.41) | SLC6A4SLC6A2SLC6A3HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| US-7569579-B2 | for inhibition of HIV replication and treatment of acquired immune deficiency syndrome | SMITHKLINE BEECHAM CORPORATION (US) | 2009-08-04 | — | — | US | disclosed |
| US-7569579-B2 | for inhibition of HIV replication and treatment of acquired immune deficiency syndrome | SMITHKLINE BEECHAM CORPORATION (US) | 2009-08-04 | — | — | US | disclosed |
| EP-1569934-B1 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-01-23 | — | — | EP | disclosed |