Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21871920 | 0.83 | GPR3 (0.44) | GPR3KDM4ECYP2A6CYP1A2PDE10A | |
| SCHEMBL17301304 | 0.80 | GPR3 (0.41) | GPR3KDM4ECYP2A6CYP1A2HTT | |
| SCHEMBL14970136 | 0.75 | GPR3 (0.47) | GPR3KDM4ECYP2A6CYP1A2RAB9A | |
| SCHEMBL12258315 | 0.74 | GPR3 (0.50) | GPR3KDM4ECYP2A6CYP1A2RAB9A | |
| SCHEMBL17942817 | 0.72 | KDM4E (0.48) | GPR3KDM4ECYP2A6CYP1A2RAB9A | |
| SCHEMBL1564282 | 0.71 | KDM4E (0.47) | GPR3KDM4ECYP2A6CYP1A2RAB9A | |
| SCHEMBL16110845 | 0.71 | SCN9A (0.54) | GPR3KDM4ECYP2A6CYP1A2PDPK1 | |
| SCHEMBL16144709 | 0.71 | GPR3 (0.47) | GPR3KDM4ECYP2A6CYP1A2NPC1 | |
| SCHEMBL30820060 | 0.71 | GPR3 (0.47) | GPR3KDM4ECYP2A6CYP1A2RAB9A | |
| SCHEMBL13075587 | 0.71 | GPR3 (0.47) | GPR3KDM4ECYP2A6CYP1A2RAB9A |
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-1745024-A4 | 1-ARYL-4-SUBSTITUTED ISOQUINOLINES | NEUROGEN CORP (US) | 2008-01-09 | — | — | EP | disclosed |
| EP-1745024-A1 | 1-ARYL-4-SUBSTITUTED ISOQUINOLINES | NEUROGEN CORPORATION (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005110991-A1 | 1-ARYL-4-SUBSTITUTED ISOQUINOLINES | NEUROGEN CORPORATION (US) | 2005-11-24 | — | — | WO | disclosed |