Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.58 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.58 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 3/20 | 0.49 |
| ▸ | TDP2 | O95551 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7911741 | 1.00 | MAOA (0.58) | MAOAKCNN2KCNN3KCNN1LMNA | |
| SCHEMBL30799251 | 1.00 | MAOA (0.58) | MAOAKCNN2KCNN3KCNN1LMNA | |
| SCHEMBL4412560 | 1.00 | MAOA (0.58) | MAOAKCNN2KCNN3KCNN1LMNA | |
| SCHEMBL6130861 | 0.86 | LMNA (0.67) | MAOAKCNN2KCNN3KCNN1LMNA | |
| SCHEMBL6130836 | 0.86 | LMNA (0.67) | MAOAKCNN2KCNN3KCNN1LMNA | |
| SCHEMBL6130832 | 0.84 | DRD1 (0.54) | LMNAALDH1A1KMT2AKDM4EHSD17B10 | |
| SCHEMBL4673775 | 0.84 | DRD1 (0.52) | DRD1DRD2 | |
| SCHEMBL6130831 | 0.83 | HTR7 (0.52) | ALDH1A1KDM4EHSD17B10CYP2D6DRD1 | |
| SCHEMBL8277195 | 0.83 | TRPV1 (0.68) | MAOALMNAALDH1A1CYP2D6DRD1 | |
| SCHEMBL6130855 | 0.83 | HTR7 (0.52) | ALDH1A1KDM4EHSD17B10CYP2D6DRD1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1380573-B1 | Isoquinolines and preparation thereof | AVERA PHARMACEUTICALS INC (US) | 2009-05-06 | — | — | EP | disclosed |
| EP-0971898-B1 | SUBSTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS | AVERA PHARMACEUTICALS INC (US) | 2005-05-11 | — | — | EP | disclosed |
| EP-1526130-A1 | Substituted isoquinolines as ultra short acting neuromuscular blockers | Avera Pharmaceuticals, Inc. (US) | 2005-04-27 | — | — | EP | disclosed |
| EP-1380573-A2 | Isoquinolines and preparation thereof | Avera Pharmaceuticals, Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| EP-0975599-B1 | SUBTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS | AVERA PHARMACEUTICALS INC (US) | 2003-11-12 | — | — | EP | disclosed |
| US-6187789-B1 | MUSCLE RELAXANTS FOR EMERGENCY INTUBATION AND SURGERY | GLAXO WELLCOME INC. | 2001-02-13 | — | — | US | disclosed |
| US-6177445-B1 | MUSCLE RELAXANTS | GLAXO WELLCOME INC. | 2001-01-23 | — | — | US | disclosed |