Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL4057138 | 0.84 | SIRT3 (0.36) | SIRT3TDP1HTTCYP2E1CYP2C8 | |
| SCHEMBL27510425 | 0.82 | CYP11B1 (0.41) | SIRT3TDP1CYP11B1CYP11B2GABRA1 | |
| SCHEMBL31336994 | 0.81 | NOS1 (0.39) | SIRT3TDP1CYP11B1CYP11B2GABRA1 | |
| SCHEMBL23580328 | 0.81 | NOS1 (0.39) | SIRT3TDP1CYP11B1CYP11B2GABRA1 | |
| SCHEMBL16671024 | 0.80 | CYP2E1 (0.41) | CYP2C9CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL30335585 | 0.79 | — | — | |
| SCHEMBL212818 | 0.79 | — | — | |
| SCHEMBL317754 | 0.77 | — | — | |
| SCHEMBL30340602 | 0.76 | GAA (0.38) | CYP1A2CYP3A4CYP2C19AOC1AOC3 | |
| SCHEMBL25170661 | 0.76 | AOC1 (0.44) | TDP1CYP2C9CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012162468-A1 | THIAZOL DERIVATIVES AS PRO -MATRIX METALLOPROTEINASE INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2012-11-29 | — | — | WO | disclosed |
| EP-2056817-A1 | BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM | Bayer HealthCare AG (DE) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008025509-A1 | BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-03-06 | — | — | WO | disclosed |
| EP-1438046-A4 | THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE | AGOURON PHARMA (US) | 2004-10-20 | — | — | EP | disclosed |
| EP-1438046-A2 | THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE | AGOURON PHARMACEUTICALS, INC. (US) | 2004-07-21 | — | — | EP | disclosed |
| WO-2003027096-A1 | SUBSTITUTED 3-PYRIDYL IMIDAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |
| WO-2003004467-A2 | THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE | AGOURON PHARMACEUTICALS, INC. (US) | 2003-01-16 | — | — | WO | disclosed |