Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 5/20 | 0.40 |
| ▸ | PLD2 | O14939 | 7/20 | 0.39 |
| ▸ | PLD1 | Q13393 | 7/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1834952 | 0.89 | CALCRL (0.48) | CALCRLTNKSPARP1PARP2DRD2 | |
| SCHEMBL1837014 | 0.88 | CALCRL (0.48) | CALCRLBCHEACHETNKSPARP1 | |
| SCHEMBL3403017 | 0.83 | OPRM1 (0.50) | PLD2PLD1CYP2D6TSHRBCHE | |
| SCHEMBL1835272 | 0.83 | OPRM1 (0.50) | PLD2PLD1CYP2D6TSHRBCHE | |
| SCHEMBL1834571 | 0.83 | NPY5R (0.44) | CYP2D6BCHEACHELMNAADRB2 | |
| SCHEMBL1832267 | 0.82 | OPRK1 (0.43) | PLD2PLD1CYP2D6BCHEACHE | |
| SCHEMBL1832648 | 0.82 | OPRK1 (0.43) | PLD2PLD1CYP2D6BCHEACHE | |
| SCHEMBL1840373 | 0.81 | CALCRL (0.42) | CALCRLTNKSPARP1PARP2DRD2 | |
| SCHEMBL3805948 | 0.80 | CYP2D6 (0.42) | PLD2PLD1USP2CYP1A2CYP2D6 | |
| SCHEMBL1838176 | 0.79 | OPRK1 (0.50) | PLD2PLD1USP2CYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1997805-A1 | Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans | Commissariat à l'Energie Atomique (FR) | 2008-12-03 | — | — | EP | claimed |
| EP-2155676-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | Commissariat à l'Energie Atomique (FR) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008146172-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2008-12-04 | — | — | WO | disclosed |