Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL6231597 | 0.82 | CA2 (0.42) | TSHRCA2CYP1A2CYP3A4CYP2D6 | |
| 2-Ethylhexanoic Acid SCHEMBL6237964 | 0.80 | CTSK (0.42) | CA2CHRM2CHRM1PTGESALOX5 | |
| 2-Ethylhexanoic Acid SCHEMBL6233179 | 0.79 | CA2 (0.43) | CA2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| 2-Ethylhexanoic Acid SCHEMBL6765272 | 0.78 | CA2 (0.47) | TSHRCA2NPSR1ALOX5 | |
| 2-Ethylhexanoic Acid SCHEMBL6234097 | 0.76 | CA2 (0.44) | CA2ALDH1A1PTGESALOX5PPARG | |
| 2-Ethylhexanoic Acid SCHEMBL6233165 | 0.74 | CA2 (0.42) | TSHRCA2CYP3A4PTGESALOX5 | |
| 2-Ethylhexanoic Acid SCHEMBL23069473 | 0.73 | CA2 (0.49) | CA2ALDH1A1CNR2PTGESALOX5 | |
| 2-Ethylhexanoic Acid SCHEMBL6235255 | 0.71 | CTSK (0.42) | CA2ALDH1A1CHRM2CHRM1PTGES | |
| 2-Ethylhexanoic Acid SCHEMBL5675673 | 0.70 | CA2 (0.54) | TSHRCA2ALDH1A1CNR2PTGES | |
| 2-Ethylhexanoic Acid SCHEMBL2808935 | 0.70 | CA2 (0.66) | TSHRCA2ALDH1A1CYP3A4NPSR1 |
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 |