Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | 0.92 | CTSK (0.42) | CTSKCA2EPHX2CHRM2CHRM1 | |
| 2-Ethylhexanoic Acid SCHEMBL23069473 | 0.85 | CA2 (0.49) | CA2PTGESALOX5PPARGALDH1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL6233165 | 0.85 | CA2 (0.42) | CA2EPHX2PTGESALOX5PPARG | |
| SCHEMBL544199 | 0.81 | TAAR1 (0.51) | CHRM2CHRM1CHRM3 | |
| 2-Ethylhexanoic Acid SCHEMBL6765272 | 0.81 | CA2 (0.47) | CTSKCA2ALOX5 | |
| 2-Ethylhexanoic Acid SCHEMBL6234097 | 0.78 | CA2 (0.44) | CA2PTGESALOX5PPARGALDH1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL6233179 | 0.78 | CA2 (0.43) | CA2EPHX2 | |
| 2-Ethylhexanoic Acid SCHEMBL5676956 | 0.77 | CA2 (0.50) | CTSKCA2ALOX5 | |
| 2-Ethylhexanoic Acid SCHEMBL6231597 | 0.77 | CA2 (0.42) | CA2EPHX2 | |
| Pivalate SCHEMBL6233673 | 0.77 | CHRM2 (0.40) | CTSKCHRM2CHRM1CHRM3MTNR1A |
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 |