Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 SCHEMBL7534157 | 0.89 | CA2 (0.54) | CA2CYP3A4L3MBTL1TSHRATM | |
| Zinc Ion SCHEMBL2184982 | 0.87 | CYP3A4 (0.59) | CA2CYP3A4L3MBTL1TSHRATM | |
| 2-Ethylhexanoic Acid SCHEMBL8747811 | 0.86 | CA2 (0.57) | CA2CYP3A4L3MBTL1TSHRATM | |
| SCHEMBL8082019 | 0.84 | CYP3A4 (0.61) | CA2CYP3A4L3MBTL1TSHRATM | |
| SCHEMBL8082011 | 0.84 | CYP3A4 (0.61) | CA2CYP3A4L3MBTL1TSHRATM | |
| 2-Ethylhexanoic Acid SCHEMBL15054 | 0.78 | CA2 (0.91) | CA2CYP3A4TSHRCA1MAPK1 | |
| 2-Ethylhexanoic Acid SCHEMBL511291 | 0.78 | CA2 (0.91) | CA2CYP3A4TSHRCA1MAPK1 | |
| 2-Ethylhexanoic Acid SCHEMBL23174742 | 0.77 | CA2 (0.88) | CA2CYP3A4TSHRCA1MAPK1 | |
| 2-Ethylhexanoic Acid SCHEMBL11414553 | 0.77 | CA2 (0.88) | CA2CYP3A4TSHRCA1MAPK1 | |
| 2-Ethylhexanoic Acid SCHEMBL26121503 | 0.77 | CA2 (0.88) | CA2CYP3A4TSHRCA1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0540700-B1 | REACTION PRODUCTS OF A BORON COMPOUND AND A PHOSPHOLIPID, AND LUBRICANTS AND AQUEOUS FLUIDS CONTAINING SAME | LUBRIZOL CORP (US) | 1998-08-12 | — | — | EP | disclosed |