Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.35 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.35 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.35 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13056378 | 0.84 | KDM4E (0.43) | KDM4EALDH1A1HPGDHRH3PRKAB2 | |
| SCHEMBL15667032 | 0.80 | RXFP1 (0.37) | KDM4EALDH1A1HPGDRXFP1GAA | |
| SCHEMBL4236397 | 0.80 | CA1 (0.42) | KDM4EALDH1A1HPGDHRH3PRKAB2 | |
| SCHEMBL10044954 | 0.79 | HRH3 (0.38) | KDM4EALDH1A1HPGDHRH3PRKAB2 | |
| SCHEMBL4294701 | 0.77 | MTNR1A (0.39) | KDM4EALDH1A1HPGDGAASMN1; SMN2 | |
| SCHEMBL4290552 | 0.74 | MTNR1A (0.39) | KDM4EALDH1A1GAAMEN1MAPT | |
| SCHEMBL18167170 | 0.72 | PIK3CG (0.42) | — | |
| SCHEMBL15758336 | 0.71 | KDM4E (0.42) | KDM4EALDH1A1HPGDPRKAB2PRKAG1 | |
| SCHEMBL7288132 | 0.70 | HRH3 (0.49) | HRH3DRD2DRD3ACHE | |
| SCHEMBL7288140 | 0.70 | HRH3 (0.49) | HRH3DRD2DRD3ACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2630129-B1 | QUINOXALINE DERIVATES | MERCK PATENT GMBH (DE) | 2016-10-26 | — | — | EP | disclosed |
| WO-2012052102-A1 | QUINOXALINE DERIVATES | MERCK PATENT GMBH (DE) | 2012-04-26 | — | — | WO | disclosed |