Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13720582 | 1.00 | TSHR (0.41) | TSHRTACR1TAAR1LMNABCHE | |
| Butane SCHEMBL4179387 | 0.94 | TSHR (0.37) | TSHRTACR1TAAR1LMNABCHE | |
| SCHEMBL4020752 | 0.85 | MAOB (0.50) | TSHRTACR1TAAR1LMNABCHE | |
| SCHEMBL4019403 | 0.85 | OPRK1 (0.46) | TSHRTACR1TAAR1LMNABCHE | |
| SCHEMBL4021847 | 0.85 | MAOB (0.50) | TSHRTACR1TAAR1LMNABCHE | |
| SCHEMBL13720305 | 0.85 | MAOB (0.50) | TSHRTACR1TAAR1LMNABCHE | |
| SCHEMBL13720497 | 0.85 | OPRK1 (0.46) | TSHRTACR1TAAR1LMNABCHE | |
| SCHEMBL13720576 | 0.82 | MAOB (0.41) | TSHRTACR1TAAR1LMNABCHE | |
| SCHEMBL4022977 | 0.82 | MAOB (0.41) | TSHRTACR1TAAR1LMNABCHE | |
| SCHEMBL4022735 | 0.81 | CTSL (0.42) | TSHRTACR1TAAR1LMNABCHE |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1569934-B1 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-01-23 | — | — | EP | disclosed |
| EP-1569934-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004055010-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |