Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Pivalate SCHEMBL6233673 | 0.92 | CHRM2 (0.40) | CYP1A2CTBP2MEN1KMT2AALDH1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL6237964 | 0.82 | CTSK (0.42) | CHRM2CHRM1CHRM3MTNR1AMTNR1B | |
| SCHEMBL544199 | 0.77 | TAAR1 (0.51) | CYP1A2CHRM2CHRM1CHRM3 | |
| Pivalate SCHEMBL9953510 | 0.74 | CYP1A2 (0.54) | CYP1A2CTBP2MEN1KMT2AALDH1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL6235255 | 0.73 | CTSK (0.42) | ALDH1A1CHRM2CHRM1CHRM3MTNR1A | |
| Emilium SCHEMBL29388187 | 0.72 | CHRM2 (0.53) | CYP1A2CHRM2CHRM1CHRM3 | |
| SCHEMBL3179539 | 0.71 | TAAR1 (0.62) | CYP1A2CHRM2CHRM1CHRM3TSHR | |
| SCHEMBL12802274 | 0.69 | CYP1A2 (0.54) | CYP1A2CTBP2MEN1KMT2AALDH1A1 | |
| Anisole SCHEMBL6951633 | 0.68 | CA4 (0.64) | KMT2AALDH1A1MAPK1 | |
| SCHEMBL227619 | 0.68 | FFAR1 (0.50) | CYP1A2CTBP2MEN1KMT2A |
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 9 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 |
| 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 |