Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20016191 | 0.96 | MEN1 (0.42) | TRPA1TSHRMAPK1ALDH1A1MEN1 | |
| Triethylene Glycol SCHEMBL8539657 | 0.82 | MEN1 (0.44) | TRPA1TSHRMAPK1ALDH1A1MEN1 | |
| SCHEMBL28862322 | 0.80 | TSHR (0.41) | TSHRMAPK1ALDH1A1MEN1KMT2A | |
| SCHEMBL15361787 | 0.80 | TSHR (0.39) | TRPA1TSHRMEN1KMT2A | |
| SCHEMBL20016189 | 0.80 | HSD17B10 (0.42) | TRPA1 | |
| SCHEMBL4398227 | 0.78 | TRPA1 (0.38) | TRPA1TSHRMAPK1 | |
| SCHEMBL4402881 | 0.77 | TRPA1 (0.37) | TRPA1MAPK1 | |
| SCHEMBL5175834 | 0.76 | USP2 (0.39) | TRPA1 | |
| SCHEMBL4405273 | 0.73 | TRPA1 (0.35) | TRPA1 | |
| SCHEMBL10869841 | 0.72 | TSHR (0.33) | TSHRMAPK1ALDH1A1MEN1KMT2A |
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-2365958-A2 | METHOD FOR PRODUCING 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DI-2-ETHYLHEXANOATE | Eastman Chemical Company (US) | 2011-09-21 | — | — | EP | claimed |
| WO-2010074703-A2 | METHOD FOR PRODUCING 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DI-2-ETHYLHEXANOATE | EASTMAN CHEMICAL COMPANY (US) | 2010-07-01 | — | — | WO | claimed |
| US-7674931-B1 | Method for producing 2,2,4-trimethyl-1,3-pentanediol di-2-ethylhexanoate | EASTMAN CHEMICAL COMPANY (US) | 2010-03-09 | — | — | US | claimed |
| EP-2365958-A2 | METHOD FOR PRODUCING 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DI-2-ETHYLHEXANOATE | Eastman Chemical Company (US) | 2011-09-21 | — | — | EP | disclosed |
| WO-2010074703-A2 | METHOD FOR PRODUCING 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DI-2-ETHYLHEXANOATE | EASTMAN CHEMICAL COMPANY (US) | 2010-07-01 | — | — | WO | disclosed |
| US-7674931-B1 | Method for producing 2,2,4-trimethyl-1,3-pentanediol di-2-ethylhexanoate | EASTMAN CHEMICAL COMPANY (US) | 2010-03-09 | — | — | US | disclosed |