Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.54 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17453236 | 1.00 | TAAR1 (0.61) | TAAR1TRPA1LMNAAOC3RIPK1 | |
| SCHEMBL136376 | 1.00 | TAAR1 (0.61) | TAAR1TRPA1LMNAAOC3RIPK1 | |
| Benzene SCHEMBL5290987 | 1.00 | TAAR1 (0.61) | TAAR1TRPA1LMNAAOC3RIPK1 | |
| SCHEMBL31498533 | 0.97 | TAAR1 (0.58) | TAAR1TRPA1LMNAAOC3RIPK1 | |
| Hydrogen Peroxide SCHEMBL190109 | 0.97 | TRPA1 (0.61) | TAAR1TRPA1LMNAAOC3RIPK1 | |
| Hydrogen Peroxide SCHEMBL27735407 | 0.97 | TRPA1 (0.61) | TAAR1TRPA1LMNAAOC3RIPK1 | |
| Ammonia Solution, Strong SCHEMBL6014467 | 0.97 | TAAR1 (0.58) | TAAR1TRPA1LMNAAOC3RIPK1 | |
| Hydrogen Peroxide SCHEMBL11692595 | 0.97 | TRPA1 (0.61) | TAAR1TRPA1LMNAAOC3RIPK1 | |
| Methane SCHEMBL28848997 | 0.97 | TAAR1 (0.58) | TAAR1TRPA1LMNAAOC3RIPK1 | |
| SCHEMBL27361065 | 0.97 | TAAR1 (0.58) | TAAR1TRPA1LMNAAOC3RIPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2900223-B1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2017-10-25 | — | — | EP | disclosed |
| US-9770439-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-26 | — | — | US | disclosed |
| US-20130196189-A1 | NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, METHOD FOR MANUFACTURING NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, AND VEHICLE COMPRISING NONAQUEOUS ELECTROLYTE SECONDARY BATTERY | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2013-08-01 | — | — | US | disclosed |
| EP-2114906-A1 | NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008092785-A1 | NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-08-07 | — | — | WO | disclosed |