Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL4195192 | 1.00 | TAAR1 (0.44) | TAAR1CYP1A2HCAR2HDAC4HDAC2 | |
| SCHEMBL7353784 | 0.98 | TAAR1 (0.43) | TAAR1CYP1A2HCAR2HDAC4HDAC2 | |
| SCHEMBL4190776 | 0.98 | TAAR1 (0.43) | TAAR1CYP1A2HCAR2HDAC4HDAC2 | |
| SCHEMBL7353792 | 0.98 | TAAR1 (0.43) | TAAR1CYP1A2HCAR2HDAC4HDAC2 | |
| SCHEMBL7353777 | 0.98 | TAAR1 (0.43) | TAAR1CYP1A2HCAR2HDAC4HDAC2 | |
| SCHEMBL2787551 | 0.98 | TAAR1 (0.43) | TAAR1CYP1A2HCAR2HDAC4HDAC2 | |
| SCHEMBL4188530 | 0.94 | HCAR2 (0.39) | TAAR1CYP1A2HCAR2HDAC4HDAC2 | |
| SCHEMBL9474747 | 0.94 | HCAR2 (0.39) | TAAR1CYP1A2HCAR2HDAC4HDAC2 | |
| SCHEMBL9578841 | 0.93 | TAAR1 (0.40) | TAAR1CYP1A2HCAR2HDAC4HDAC2 | |
| SCHEMBL10378479 | 0.87 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046804-B1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2-yl]methyl} phosphonate used in the synthesis of himbacine analogs | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | disclosed |
| EP-2399912-A2 | An exo-selective synthesis of himbacine analogs | Schering Corporation (US) | 2011-12-28 | — | — | EP | disclosed |
| EP-2206697-A1 | Exo- and diastereo-selective syntheses of himbacine analogs | SCHERING CORPORATION (US) | 2010-07-14 | — | — | EP | disclosed |
| EP-1848705-B1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORP (US) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008005348-A1 | SYNTHESIS OF DIETHYL{ I5' (3 -FLUOROPHENYL) -PYRIDINE-2-YL] METHYL} PHOSPHONATE USED IN THE SYNTHESIS OF HIMBACINE ANALOGS | SCHERING CORPORATION (US) | 2008-01-10 | — | — | WO | disclosed |
| EP-1036072-B1 | THROMBIN RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2004-05-06 | — | — | EP | disclosed |
| US-6326380-B1 | CARDIOVASCULAR DISORDERS; ANTICANCER AGENTS | SCHERING CORPORATION | 2001-12-04 | — | — | US | disclosed |
| US-6063847-A | TREATMENT OF DISEASES RELATED TO THROMBOSIS AS FOR EXAMPLE ATHELOSCLEROSIS, ANGINA PECTORIS, HEART FAILURE; HYPOTENSIVE AGENTS, ANTIARRYTHMIA AGENTS | SCHERING CORPORATION (US) | 2000-05-16 | — | — | US | disclosed |