Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27642218 | 0.71 | ALDH1A1 (0.31) | TSHRALDH1A1 | |
| SCHEMBL5263816 | 0.68 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL704251 | 0.68 | — | — | |
| SCHEMBL18421756 | 0.64 | THRB (0.37) | TSHRALDH1A1HPGD | |
| SCHEMBL4961147 | 0.64 | ALDH1A1 (0.36) | TSHRALDH1A1 | |
| SCHEMBL9576561 | 0.64 | TSHR (0.35) | TSHRALDH1A1HPGD | |
| Acrylic Acid Methyl Ester SCHEMBL17910249 | 0.64 | TSHR (0.42) | TSHRALDH1A1HPGD | |
| SCHEMBL8191463 | 0.63 | THRB (0.36) | TSHRALDH1A1HPGD | |
| SCHEMBL2034080 | 0.63 | TDP1 (0.48) | ALDH1A1HPGD | |
| SCHEMBL2034079 | 0.63 | TDP1 (0.48) | ALDH1A1HPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2516397-A1 | AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS | MSD Oss B.V. (NL) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011076723-A1 | AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS | N.V. ORGANON (NL) | 2011-06-30 | — | — | WO | disclosed |
| EP-1747215-A1 | SUBSTANTIALLY PURE 2-{¬2-(2-METHYLAMINO-PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBONYL|-AMINO}-3-(PHENYLPYRIDIN-2-YL-AMINO)-PROPIONIC ACID AS AN IKB KINASE INHIBITOR | Aventis Pharmaceuticals, Inc. (US) | 2007-01-31 | — | — | EP | disclosed |
| EP-1725543-A1 | 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS | Sanofi-Aventis Deutschland GmbH (DE) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005113544-A1 | SUBSTANTIALLY PURE 2-{[2-(2-METHYLAMINO-PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBONYL]-AMINO}-3-(PHENYLPYRIDIN-2-YL-AMINO)-PROPIONIC ACID AS AN IKB KINASE INHIBITOR | AVENTIS PHARMACEUTICALS INC. (US) | 2005-12-01 | — | — | WO | disclosed |
| WO-2005085230-A1 | 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2005-09-15 | — | — | WO | disclosed |
| EP-1519921-A2 | SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE | Amgen Inc. (US) | 2005-04-06 | — | — | EP | disclosed |
| WO-2004005279-A2 | SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE | AMGEN INC. (US) | 2004-01-15 | — | — | WO | disclosed |