Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.63 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.60 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.59 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | TYR | P14679 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | JAK2 | O60674 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Methyl Cis-3,4-Dimethoxycinnamate SCHEMBL2411955 | 0.87 | FDPS (0.80) | FDPSEPHX2NFE2L2ABCG2KDM4E | |
| Methyl Cis-3,4-Dimethoxycinnamate SCHEMBL2411956 | 0.87 | FDPS (0.80) | FDPSEPHX2NFE2L2ABCG2KDM4E | |
| SCHEMBL7967589 | 0.86 | KDM4E (0.77) | NFE2L2ABCG2CA12CA1CA2 | |
| SCHEMBL7967595 | 0.86 | KDM4E (0.77) | NFE2L2ABCG2CA12CA1CA2 | |
| SCHEMBL8267192 | 0.81 | HDAC8 (0.73) | CA12CA1CA2TYRCA7 | |
| Methyl Cis-3,4-Dimethoxycinnamate SCHEMBL7524794 | 0.80 | KDM4E (0.76) | FDPSEPHX2NFE2L2ABCG2CA12 | |
| SCHEMBL71224 | 0.80 | CA12 (0.84) | FDPSEPHX2NFE2L2CA12CA1 | |
| SCHEMBL5057418 | 0.80 | CA12 (0.84) | FDPSEPHX2NFE2L2CA12CA1 | |
| SCHEMBL15599441 | 0.80 | KDM4E (0.48) | FDPSEPHX2NFE2L2KDM4EALDH1A1 | |
| SCHEMBL15599425 | 0.80 | KDM4E (0.48) | FDPSEPHX2NFE2L2KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1235793-A2 | VLA-4 INTEGRIN ANTAGONISTS | Novartis AG (CH) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001042192-A2 | VLA-4 INTEGRIN ANTAGONISTS | NOVARTIS AG (CH) | 2001-06-14 | — | — | WO | disclosed |