Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PTGES | O14684 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL6237964 | 0.87 | CTSK (0.42) | CA2ALOX5PPARGPTGESPPARA | |
| 2-Ethylhexanoic Acid SCHEMBL6231597 | 0.81 | CA2 (0.42) | CA2 | |
| 2-Ethylhexanoic Acid SCHEMBL23069473 | 0.79 | CA2 (0.49) | CA2ALOX5PPARGALDH1A1PTGES | |
| 2-Ethylhexanoic Acid SCHEMBL6235255 | 0.78 | CTSK (0.42) | CA2ALOX5PPARGALDH1A1PTGES | |
| 2-Ethylhexanoic Acid SCHEMBL6233179 | 0.78 | CA2 (0.43) | CA2 | |
| 2-Ethylhexanoic Acid SCHEMBL6765272 | 0.77 | CA2 (0.47) | CA2ALOX5 | |
| 2-Ethylhexanoic Acid SCHEMBL6233044 | 0.76 | TSHR (0.53) | CA2ALOX5PPARGALDH1A1PTGES | |
| 2-Ethylhexanoic Acid SCHEMBL5675673 | 0.76 | CA2 (0.54) | CA2ALOX5PPARGALDH1A1PTGES | |
| 2-Ethylhexanoic Acid SCHEMBL6233165 | 0.73 | CA2 (0.42) | CA2ALOX5PPARGPTGES | |
| 2-Ethylhexanoic Acid SCHEMBL11792055 | 0.73 | CA2 (0.57) | CA2ALOX5PPARGALDH1A1PTGES |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6730628-B2 | TRIMERIZING AT LEAST ONE DIISOCYANATE IN THE PRESENCE OF 0.04-2% BY WEIGHT OF A TRIMERIZATION CATALYST CONTAINING A QUATERNARY OR AMINE SALT HAVING HYDROXY GROUPS | DEGUSSA AG (DE) | 2004-05-04 | — | — | US | claimed |
| US-20030158368-A1 | Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups | DEGUSA AG (DE) | 2003-08-21 | — | — | US | claimed |
| US-20030153714-A1 | Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups | DEGUSA AG (DE) | 2003-08-14 | — | — | US | claimed |
| US-6552154-B1 | Trimerizing at least one diisocyanate in presence of such as N-(2-hydroxypropyl)-N,N-dimethyl-N-(3-methoxybenzyl)ammonium 2-ethylhexanoate | DEGUSSA AG (DE) | 2003-04-22 | — | — | US | claimed |
| EP-1085030-B1 | Catalyst and process for preparing polyisocyanates having isocyanurate groups and low colouring | DEGUSSA (DE) | 2005-05-18 | — | — | EP | disclosed |
| US-6800714-B2 | TRIMERIZING A DIISOCYANATE IN THE PRESENCE OF QUATERNARY AMMONIUM HYDROXIDES OR ESTERS | DEGUSSA AG (DE) | 2004-10-05 | — | — | US | disclosed |
| US-6730628-B2 | TRIMERIZING AT LEAST ONE DIISOCYANATE IN THE PRESENCE OF 0.04-2% BY WEIGHT OF A TRIMERIZATION CATALYST CONTAINING A QUATERNARY OR AMINE SALT HAVING HYDROXY GROUPS | DEGUSSA AG (DE) | 2004-05-04 | — | — | US | disclosed |
| US-20030158368-A1 | Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups | DEGUSA AG (DE) | 2003-08-21 | — | — | US | disclosed |
| US-20030153714-A1 | Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups | DEGUSA AG (DE) | 2003-08-14 | — | — | US | disclosed |
| US-6552154-B1 | Trimerizing at least one diisocyanate in presence of such as N-(2-hydroxypropyl)-N,N-dimethyl-N-(3-methoxybenzyl)ammonium 2-ethylhexanoate | DEGUSSA AG (DE) | 2003-04-22 | — | — | US | disclosed |
| EP-1085030-A2 | Catalyst and process for preparing polyisocyanates having isocyanurate groups and low colouring | Degussa-Hüls Aktiengesellschaft (DE) | 2001-03-21 | — | — | EP | disclosed |