Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL2362729 | 0.89 | CA2 (0.69) | CYP1A2MEN1KMT2AMAPK1CA2 | |
| M-Xylene SCHEMBL28875084 | 0.88 | ACHE (0.48) | CYP1A2MEN1KMT2AMAPK1CA2 | |
| 2-Ethylhexanoic Acid SCHEMBL28216593 | 0.88 | CA2 (0.67) | CYP1A2MEN1KMT2AMAPK1CA2 | |
| 2-Ethylhexanoic Acid SCHEMBL28325292 | 0.88 | CA2 (0.67) | CYP1A2MEN1KMT2AMAPK1CA2 | |
| 2-Ethylhexanoic Acid SCHEMBL28285129 | 0.88 | CA2 (0.67) | CYP1A2MEN1KMT2AMAPK1CA2 | |
| 2-Ethylhexanoic Acid SCHEMBL19348931 | 0.88 | CA2 (0.67) | CYP1A2MEN1KMT2AMAPK1CA2 | |
| 2-Ethylhexanoic Acid SCHEMBL20393998 | 0.88 | CA2 (0.67) | CYP1A2MEN1KMT2AMAPK1CA2 | |
| 2-Ethylhexanoic Acid SCHEMBL18917645 | 0.88 | CA2 (0.67) | CYP1A2MEN1KMT2AMAPK1CA2 | |
| 2-Ethylhexanoic Acid SCHEMBL20502948 | 0.88 | CA2 (0.67) | CYP1A2MEN1KMT2AMAPK1CA2 | |
| 2-Ethylhexanoic Acid SCHEMBL28031054 | 0.88 | CA2 (0.67) | CYP1A2MEN1KMT2AMAPK1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013080896-A1 | METHOD FOR PRODUCING 2,6-DIETHYL-4-METHYLPHENYLACETIC ACID | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-06-06 | — | — | WO | disclosed |
| EP-2187744-A2 | HERBICIDAL COMPOSITION COMPRISING A PYRIDAZINONE COMPOUND WITH A SPECIFIC HERBICIDE AND A SPECIFIC SAFENER | Sumitomo Chemical Company, Limited (JP) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009035145-A2 | HERBICIDAL COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-03-19 | — | — | WO | disclosed |