Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | ESRRG | P62508 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31477659 | 0.87 | CYP2C19 (0.54) | HIF1ACYP2C19CYP1A2CYP3A4RECQL | |
| SCHEMBL1573515 | 0.87 | CYP2C19 (0.54) | HIF1ACYP2C19CYP1A2CYP3A4RECQL | |
| SCHEMBL5862223 | 0.87 | CYP2C19 (0.54) | HIF1ACYP2C19CYP1A2CYP3A4RECQL | |
| SCHEMBL5862815 | 0.86 | MIF (0.49) | HIF1ACYP2C19CYP1A2MAPTCTSA | |
| SCHEMBL5860841 | 0.84 | ITGB1 (0.47) | HIF1ACYP2C19EPHX2RECQLMAPT | |
| SCHEMBL7264668 | 0.82 | HIF1A (0.36) | HIF1ACYP2C19EPHX2CYP1A2CYP3A4 | |
| SCHEMBL6517072 | 0.81 | ALDH1A1 (0.48) | RECQLKDM4EMAPTMAPK1 | |
| SCHEMBL7971106 | 0.79 | CXCR2 (0.40) | HIF1ACYP2C19AKT1CA12CA1 | |
| SCHEMBL10282363 | 0.79 | EPHX2 (0.39) | EPHX2RECQLKDM4EMAPTMAPK1 | |
| SCHEMBL4044110 | 0.77 | CYP2C19 (0.46) | HIF1ACYP2C19CYP1A2CYP3A4RECQL |
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-6953798-B1 | β-alanine derivates | CELLTECH R&D LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |