Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5494561 | 0.87 | TRPA1 (0.61) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL40704 | 0.87 | — | — | |
| SCHEMBL10941713 | 0.83 | TRPA1 (0.58) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| Benzene SCHEMBL22829865 | 0.83 | TRPA1 (0.58) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL31498525 | 0.83 | TRPA1 (0.58) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL7695351 | 0.83 | TRPA1 (0.58) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL22194330 | 0.83 | TRPA1 (0.58) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| Bromide SCHEMBL21173634 | 0.83 | TRPA1 (0.58) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| Water SCHEMBL11662813 | 0.83 | TRPA1 (0.58) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL2017512 | 0.83 | TRPA1 (0.58) | TRPA1ATMALDH1A1CYP1A2CYP2A6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2588484-A1 | NOVEL ORGANIC COMPOUND AND ELECTROCHROMIC DEVICE INCLUDING THE SAME | Canon Kabushiki Kaisha (JP) | 2013-05-08 | — | — | EP | disclosed |
| EP-2406232-A1 | PYRIDAZINONE COMPOUND AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2012-01-18 | — | — | EP | disclosed |
| WO-2012002185-A1 | NOVEL ORGANIC COMPOUND AND ELECTROCHROMIC DEVICE INCLUDING THE SAME | CANON KABUSHIKI KAISHA (JP) | 2012-01-05 | — | — | WO | disclosed |
| WO-2011122383-A1 | NOVEL BENZOXAZOLYL CARBAZOLE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | CANON KABUSHIKI KAISHA (JP) | 2011-10-06 | — | — | WO | disclosed |
| WO-2011122381-A1 | NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME | CANON KABUSHIKI KAISHA (JP) | 2011-10-06 | — | — | WO | disclosed |
| WO-2010104217-A1 | PYRIDAZINONE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-09-16 | — | — | WO | disclosed |