Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | PPARA | Q07869 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.46 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.46 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.46 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28191870 | 0.95 | HDAC1 (0.57) | HDAC1HDAC8PPARAPPARGFFAR1 | |
| SCHEMBL853787 | 0.90 | FFAR1 (0.54) | HDAC1HDAC8PPARAPPARGFFAR1 | |
| SCHEMBL22921868 | 0.86 | TSHR (0.58) | KMT2AEPHX2 | |
| SCHEMBL23176840 | 0.84 | HDAC1 (0.44) | HDAC1HDAC8PPARAPPARGFFAR1 | |
| Trifluoroacetic Acid SCHEMBL30151162 | 0.84 | FFAR1 (0.56) | HDAC1HDAC8PPARAPPARGFFAR1 | |
| SCHEMBL5182649 | 0.81 | HDAC1 (0.55) | HDAC1HDAC8PPARAPPARGFFAR1 | |
| SCHEMBL6076198 | 0.81 | CA12 (0.54) | EPHX2 | |
| SCHEMBL24242150 | 0.81 | HDAC1 (0.49) | HDAC1HDAC8PPARAPPARGFFAR1 | |
| SCHEMBL9591234 | 0.81 | NR1H4 (0.51) | MEN1KMT2AEPHX2 | |
| SCHEMBL7851791 | 0.80 | CYP4Z1 (0.55) | HDAC1HDAC8PPARGEPHX2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2227455-B1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-12 | — | — | EP | disclosed |
| WO-2011001373-A1 | PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY PURE TRISUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVE | ACTELION PHARMACEUTICALS LTD (CH) | 2011-01-06 | — | — | WO | disclosed |
| WO-2009083899-A2 | PROCESS FOR THE PREPARATION OF AN ENANTIOMERIC TRISUBSTITUTED 3,4-DIHYDRO-ISOQUINOLINE DERIVATIVE | ACTELION PHARMACEUTICALS LTD (CH) | 2009-07-09 | — | — | WO | disclosed |
| WO-2009083903-A1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | ACTELION PHARMACEUTICALS LTD (CH) | 2009-07-09 | — | — | WO | disclosed |
| WO-2003042206-A1 | PYRIDINONE AND PYRIMIDINONE COMPOUNDS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-05-22 | — | — | WO | disclosed |