Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | KIF11 | P52732 | 4/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14358816 | 0.84 | KEAP1 (0.58) | KEAP1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL14358814 | 0.84 | KEAP1 (0.58) | KEAP1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL3554742 | 0.83 | KEAP1 (0.52) | KEAP1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL15836266 | 0.83 | KEAP1 (0.52) | KEAP1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL12054668 | 0.83 | KEAP1 (0.75) | KEAP1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL394895 | 0.83 | ALDH1A1 (0.61) | KEAP1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL4021106 | 0.81 | PTPRB (0.42) | ALDH1A1HPGDCA1CA2RECQL | |
| SCHEMBL8017825 | 0.81 | KEAP1 (0.54) | KEAP1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL8809867 | 0.78 | KIF11 (0.61) | KEAP1ALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL15218448 | 0.78 | KEAP1 (0.67) | KEAP1ALDH1A1SMN1; SMN2LMNAHPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1658265-A4 | 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | GRUENENTHAL GMBH (DE) | 2006-11-29 | — | — | EP | claimed |
| EP-1658265-A1 | 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | Grünenthal GmbH (DE) | 2006-05-24 | — | — | EP | claimed |
| WO-2005003084-A1 | 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | GRUNENTHAL GMBH (DE) | 2005-01-13 | — | — | WO | claimed |
| EP-1658265-A4 | 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | GRUENENTHAL GMBH (DE) | 2006-11-29 | — | — | EP | disclosed |
| EP-1658265-A1 | 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | Grünenthal GmbH (DE) | 2006-05-24 | — | — | EP | disclosed |
| WO-2005003084-A1 | 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | GRUNENTHAL GMBH (DE) | 2005-01-13 | — | — | WO | disclosed |