Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.39 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 4/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | ACACA | Q13085 | 3/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13720351 | 0.88 | IDO1 (0.42) | IDO1CPB2NPFFR1NPFFR2SIGMAR1 | |
| SCHEMBL13720464 | 0.84 | SYK (0.45) | IDO1SYKNPFFR1NPFFR2ALDH1A1 | |
| SCHEMBL13720143 | 0.84 | SYK (0.45) | IDO1SYKNPFFR1NPFFR2ALDH1A1 | |
| SCHEMBL13720411 | 0.84 | SYK (0.45) | IDO1SYKNPFFR1NPFFR2ALDH1A1 | |
| SCHEMBL20005716 | 0.83 | HCRTR2 (0.35) | CPB2ALDH1A1KDM4AKMT2ADRD2 | |
| SCHEMBL20005977 | 0.83 | HCRTR2 (0.35) | CPB2ALDH1A1KDM4AKMT2ADRD2 | |
| SCHEMBL8208823 | 0.82 | SLC6A3 (0.48) | DRD2 | |
| SCHEMBL4874867 | 0.82 | SLC6A3 (0.48) | DRD2 | |
| SCHEMBL14255652 | 0.82 | SLC6A3 (0.48) | DRD2 | |
| SCHEMBL22917996 | 0.82 | SLC6A3 (0.48) | DRD2 |
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 |