Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL984634 | 0.88 | HCRTR1 (0.45) | HCRTR1HCRTR2ALDH1A1HPGD | |
| SCHEMBL984476 | 0.84 | KMO (0.49) | KMOHCRTR1HCRTR2AKR1C3AKR1C2 | |
| SCHEMBL980677 | 0.83 | PIN1 (0.50) | KMO | |
| SCHEMBL984151 | 0.82 | MAPK14 (0.41) | HCRTR1HCRTR2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL27834590 | 0.81 | KDM4E (0.44) | HCRTR1HCRTR2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL14850865 | 0.81 | NISCH (0.40) | KMOGRIN2BNISCHPIK3CDPIK3CA | |
| SCHEMBL1340321 | 0.79 | PIN1 (0.49) | KMOHCRTR1HCRTR2ALDH1A1HPGD | |
| SCHEMBL980993 | 0.78 | ALDH1A1 (0.47) | HCRTR1HCRTR2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL984955 | 0.78 | HCRTR1 (0.49) | KMOHCRTR1HCRTR2AKR1C3AKR1C2 | |
| SCHEMBL984890 | 0.77 | HCRTR1 (0.38) | HCRTR1HCRTR2ALDH1A1HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | claimed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | claimed |
| CN-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | disclosed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | disclosed |