Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | PPIB | P23284 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PPIA | P62937 | 1/20 | 0.38 |
| ▸ | PPID | Q08752 | 1/20 | 0.38 |
| ▸ | PPIG | Q13427 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | PHLPP2 | Q6ZVD8 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3581596 | 0.98 | OPRK1 (0.41) | OPRK1PPIBCYP3A4TDP1ALDH1A1 | |
| SCHEMBL2384372 | 0.84 | HPGD (0.45) | TDP1ALDH1A1CNR2LMNAPOLB | |
| SCHEMBL4052270 | 0.81 | NUDT1 (0.49) | OPRK1PPIBCYP3A4TDP1ALDH1A1 | |
| SCHEMBL13536796 | 0.75 | HDAC4 (0.48) | OPRK1PPIBCYP3A4TDP1PPIA | |
| SCHEMBL3574513 | 0.74 | TDP1 (0.50) | OPRK1PPIBCYP3A4TDP1ALDH1A1 | |
| SCHEMBL15652035 | 0.74 | LTB4R (0.43) | OPRK1TDP1POLBAPEX1PHLPP2 | |
| SCHEMBL4497778 | 0.74 | PHLPP2 (0.45) | OPRK1TDP1ALDH1A1POLBAPEX1 | |
| SCHEMBL12460026 | 0.74 | OPRK1 (0.44) | OPRK1PPIBCYP3A4TDP1LMNA | |
| SCHEMBL1632446 | 0.73 | LMNA (0.51) | CYP3A4TDP1ALDH1A1TSHRCNR2 | |
| SCHEMBL15651246 | 0.73 | OPRK1 (0.43) | OPRK1CYP3A4TDP1ALDH1A1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | WO | disclosed |