Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.51 |
| ▸ | SCN3A | Q9NY46 | 8/20 | 0.50 |
| ▸ | SCN1A | P35498 | 1/20 | 0.46 |
| ▸ | SCN4A | P35499 | 1/20 | 0.46 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.46 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.46 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.46 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.45 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 2/20 | 0.42 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL310675 | 0.92 | KCNH2 (0.55) | KCNH2SCN3ASCN1ASCN4ASCN7A | |
| SCHEMBL483793 | 0.92 | KCNH2 (0.55) | KCNH2SCN3ASCN1ASCN4ASCN7A | |
| Ethane SCHEMBL483694 | 0.88 | YAP1 (0.45) | KCNH2MAOBADAM17 | |
| SCHEMBL484203 | 0.88 | YAP1 (0.45) | KCNH2MAOBADAM17 | |
| SCHEMBL483557 | 0.88 | YAP1 (0.45) | KCNH2MAOBADAM17 | |
| SCHEMBL483558 | 0.88 | YAP1 (0.45) | KCNH2MAOBADAM17 | |
| SCHEMBL483518 | 0.88 | YAP1 (0.45) | KCNH2MAOBADAM17 | |
| SCHEMBL483792 | 0.87 | KCNH2 (0.51) | KCNH2SCN3ASCN1ASCN4ASCN7A | |
| SCHEMBL482955 | 0.86 | KCNH2 (0.52) | KCNH2SCN3APARP15PARP10 | |
| SCHEMBL484118 | 0.86 | KCNH2 (0.52) | KCNH2SCN3APARP15PARP10 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153623-B2 | Compounds | Convergence Pharmaceuticals Limited (GB) | 2012-04-10 | — | — | US | disclosed |
| EP-1934176-B1 | QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS | GLAXO GROUP LTD (GB) | 2012-02-01 | — | — | EP | disclosed |
| EP-2117562-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS | GLAXO GROUP LTD (GB) | 2011-10-26 | — | — | EP | disclosed |
| EP-2129381-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING 3, 5-DIAMIN0-6- (2, 3-DICHL0PHENYL) -L, 2, 4-TRIAZINE OR R (-) -2, 4-DIAMINO-5- (2, 3-DICHLOROPHENYL) -6-FLUOROMETHYL PYRIMIDINE AND AN NK1 | Glaxo Group Limited (GB) | 2009-12-09 | — | — | EP | disclosed |
| EP-2117538-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5- (5-TRIFLUOROMETHYL-TETRAZOL-I-YL-BENZYL) - (2S-PHENYL-PIPERIDIN-3S-YL-) | Glaxo Group Limited (GB) | 2009-11-18 | — | — | EP | disclosed |
| EP-2117562-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS | Glaxo Group Limited (GB) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008090114-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5- (5-TRIFLUOROMETHYL-TETRAZOL-I-YL-BENZYL) - (2S-PHENYL-PIPERIDIN-3S-YL-) | GLAXO GROUP LIMITED (GB) | 2008-07-31 | — | — | WO | disclosed |
| WO-2008090117-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING 3, 5-DIAMIN0-6- (2, 3-DICHL0PHENYL) -L, 2, 4-TRIAZINE OR R (-) -2, 4-DIAMINO-5- (2, 3-DICHLOROPHENYL) -6-FLUOROMETHYL PYRIMIDINE AND AN NK1 | GLAXO GROUP LIMITED (GB) | 2008-07-31 | — | — | WO | disclosed |
| WO-2008090115-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS | GLAXO GROUP LIMITED (GB) | 2008-07-31 | — | — | WO | disclosed |