Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.49 |
| ▸ | PLAU | P00749 | 4/20 | 0.48 |
| ▸ | ERN1 | O75460 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5776604 | 0.87 | PTPN11 (0.54) | CYP4A11CYP11B1CYP11B2LOXL2CYP19A1 | |
| SCHEMBL9939493 | 0.87 | CYP11B1 (0.49) | EGFRCYP4A11CYP11B1CYP11B2LOXL2 | |
| SCHEMBL5893077 | 0.85 | LOXL2 (0.61) | EGFRCYP4A11LOXL2CA2CA12 | |
| SCHEMBL6714949 | 0.83 | EGFR (0.60) | EGFRCYP4A11LOXL2CA2CA12 | |
| SCHEMBL2355299 | 0.83 | EGFR (0.57) | EGFRCYP4A11CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL2353162 | 0.83 | EGFR (0.53) | EGFRCYP4A11CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL3149487 | 0.83 | CYP4A11 (0.50) | CYP4A11CYP11B1CYP11B2LOXL2CYP19A1 | |
| SCHEMBL2355805 | 0.82 | PLAU (0.56) | EGFRCYP4A11CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL9939720 | 0.81 | RARB (0.51) | ERN1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL4940300 | 0.81 | KDM4E (0.55) | CYP11B1CYP11B2CA2CA12CA9 |
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-2651871-A1 | NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | N30 Pharmaceuticals, Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083171-A1 | NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | N30 PHARMACEUTICALS, LLC (US) | 2012-06-21 | — | — | WO | disclosed |