Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 4/20 | 0.38 |
| ▸ | MMP2 | P08253 | 3/20 | 0.38 |
| ▸ | MMP1 | P03956 | 2/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 SCHEMBL5676956 | 0.90 | CA2 (0.50) | CA2CTSKMMP13MMP9LDHA | |
| 2-Ethylhexanoic Acid SCHEMBL6233179 | 0.87 | CA2 (0.43) | CA2LDHA | |
| 2-Ethylhexanoic Acid SCHEMBL6237964 | 0.85 | CTSK (0.42) | CA2CTSKALOX5 | |
| 2-Ethylhexanoic Acid SCHEMBL6231597 | 0.84 | CA2 (0.42) | CA2LDHATSHR | |
| 2-Ethylhexanoic Acid SCHEMBL6235255 | 0.81 | CTSK (0.42) | CA2CTSKALOX5 | |
| 2-Ethylhexanoic Acid SCHEMBL6233165 | 0.80 | CA2 (0.42) | CA2LDHAALOX5TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL23069473 | 0.79 | CA2 (0.49) | CA2ALOX5L3MBTL1 | |
| 2-Ethylhexanoic Acid SCHEMBL6233044 | 0.78 | TSHR (0.53) | CA2ALOX5NPSR1TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL6234097 | 0.77 | CA2 (0.44) | CA2ALOX5 | |
| 2-Ethylhexanoic Acid SCHEMBL5675673 | 0.76 | CA2 (0.54) | CA2ALOX5L3MBTL1TSHR |
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 1 patent. 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 |