Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8331837 | 0.93 | CYP3A4 (0.43) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL7783031 | 0.88 | CYP3A4 (0.47) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL7921624 | 0.81 | CA2 (0.42) | ATMCA2MAPK1L3MBTL1CA1 | |
| SCHEMBL7788687 | 0.79 | MMP8 (0.34) | MMP8 | |
| SCHEMBL257295 | 0.77 | CYP3A4 (0.70) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL7757420 | 0.76 | CYP3A4 (0.48) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL7791435 | 0.76 | ALDH1A1 (0.33) | TSHRATMALDH1A1 | |
| SCHEMBL7788678 | 0.76 | CA2 (0.42) | ATMCA2MAPK1L3MBTL1CA1 | |
| SCHEMBL7791427 | 0.75 | — | — | |
| SCHEMBL7788684 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0850928-B1 | Novel peroxyoxalates derived from hydroxy-hydroperoxides | ATOFINA CHEM INC (US) | 2001-10-31 | — | — | EP | disclosed |
| US-5981787-A | INITIATORS FOR POLYMERIZING ETHYLENICALLY UNSATURATED MONOMERS AND FOR CURING OF UNSATURATED POLYESTER RESINS | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1999-11-09 | — | — | US | disclosed |
| EP-0850928-A1 | Novel peroxyoxalates derived from hydroxy-hydroperoxides | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1998-07-01 | — | — | EP | disclosed |