Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.58 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2334911 | 0.90 | ESR1 (0.61) | ESR1ESR2PSDLMNATTR | |
| SCHEMBL2330302 | 0.83 | ESR1 (0.58) | ESR1ESR2PSDLMNATTR | |
| SCHEMBL2333818 | 0.76 | ESR1 (0.61) | ESR1ESR2PSDLMNATTR | |
| SCHEMBL2328638 | 0.75 | ESR1 (0.60) | ESR1ESR2PSDLMNATTR | |
| SCHEMBL3957035 | 0.74 | ESR1 (1.00) | ESR1ESR2PSDLMNATTR | |
| SCHEMBL2182106 | 0.74 | ESR1 (0.90) | ESR1ESR2PSDLMNATTR | |
| SCHEMBL2361378 | 0.73 | ESR1 (0.61) | ESR1ESR2PSDLMNATTR | |
| SCHEMBL2329191 | 0.73 | ESR1 (0.61) | ESR1ESR2PSDLMNATTR | |
| SCHEMBL2329046 | 0.73 | ESR1 (0.58) | ESR1ESR2PSDLMNATTR | |
| SCHEMBL2332579 | 0.72 | ESR1 (0.71) | ESR1ESR2PSDLMNATTR |
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-2533638-A1 | NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | N30 Pharmaceuticals, Inc. (US) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011100433-A1 | NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | N30 PHARMACEUTICALS, LLC (US) | 2011-08-18 | — | — | WO | disclosed |