Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 6/20 | 0.44 |
| ▸ | PPARD | Q03181 | 6/20 | 0.44 |
| ▸ | PPARA | Q07869 | 6/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.44 |
| ▸ | TLR2 | O60603 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4151120 | 1.00 | CA12 (0.48) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL4148489 | 1.00 | CA12 (0.48) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL4141842 | 1.00 | CA12 (0.48) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL4149050 | 1.00 | CA12 (0.48) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL4144163 | 1.00 | CA12 (0.48) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL4147410 | 1.00 | CA12 (0.48) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL4149765 | 1.00 | CA12 (0.48) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL26048473 | 1.00 | CA12 (0.48) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL4162077 | 1.00 | CA12 (0.48) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL31603756 | 0.98 | MMP1 (0.50) | CA12CA1CA9CA2ALDH1A1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1208268-B1 | NOVEL QUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF | EVONIK GOLDSCHMIDT CORP (US) | 2013-07-10 | — | — | EP | disclosed |
| EP-1045891-A4 | NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF | GOLDSCHMIDT CHEMICAL CORP (US) | 2003-01-22 | — | — | EP | disclosed |
| US-6458343-B1 | Quaternary compounds, compositions containing them, and uses thereof | GOLDSCHMIDT CHEMICAL CORPORATION | 2002-10-01 | — | — | US | disclosed |
| EP-1208268-A1 | NOVEL QUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF | Goldschmidt Chemical Company (US) | 2002-05-29 | — | — | EP | disclosed |
| US-6376455-B1 | FABRIC SOFTENER, QUATERNARY FATTY ACID AMINO ALCOHOL ESTERS OF METHYLETHANOLISOPROPANOLAMINE (MEIPA) WITH FATTY ACIDS IN THE RATIO OF FROM 1:1.5 TO 1:2 WITH USE OF MONOFUNCTIONAL ALCOHOLS OR BIFUNCTIONAL ALCOHOLS. | GOLDSCHMIDT REWO GMBH & CO. KG (DE) | 2002-04-23 | — | — | US | disclosed |
| WO-2001085109-A1 | NOVEL QUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF | GOLDSCHMIDT CHEMICAL COMPANY (US) | 2001-11-15 | — | — | WO | disclosed |
| EP-1121341-A1 | POLYESTER POLYQUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF | Goldschmidt Chemical Corporation (US) | 2001-08-08 | — | — | EP | disclosed |
| US-6235914-B1 | Amine and quaternary ammonium compounds made from ketones and aldehydes, and compositions containing them | GOLDSCHMIDT CHEMICAL COMPANY | 2001-05-22 | — | — | US | disclosed |
| US-6211139-B1 | Polyester polyquaternary compounds, compositions containing them, and use thereof | GOLDSCHMIDT CHEMICAL CORPORATION | 2001-04-03 | — | — | US | disclosed |
| WO-2000075426-A1 | PAPER SOFTNER/DEBONDERS COMPOSITIONS | WITCO CORPORATION (US) | 2000-12-14 | — | — | WO | disclosed |
| WO-2000068502-A1 | NOVEL QUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF | GOLDSCHMIDT CHEMICAL COMPANY (US) | 2000-11-16 | — | — | WO | disclosed |
| EP-1045891-A1 | NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF | Goldschmidt Chemical Corporation (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-2000021918-A1 | POLYESTER POLYQUATERNARY COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF | GOLDSCHMIDT CHEMICAL CORPORATION (US) | 2000-04-20 | — | — | WO | disclosed |
| WO-1999035120-A1 | NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF | WITCO CORPORATION (US) | 1999-07-15 | — | — | WO | disclosed |
| WO-1999035223-A1 | NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF | WITCO CORPORATION (US) | 1999-07-15 | — | — | WO | disclosed |