Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 2/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 7/20 | 0.36 |
| ▸ | CA2 | P00918 | 7/20 | 0.36 |
| ▸ | CA9 | Q16790 | 6/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1147458 | 0.84 | CYP2C19 (0.40) | CYP2C19HIF1AKIF11RXRANR1H2 | |
| SCHEMBL1147825 | 0.83 | CA1 (0.44) | CA1CA2CYP2C19HIF1ASMN1; SMN2 | |
| SCHEMBL1147854 | 0.81 | CYP2C19 (0.40) | CYP2C19HIF1ASMN1; SMN2KIF11 | |
| SCHEMBL3525214 | 0.80 | ESR1 (0.44) | CYP2C19HIF1A | |
| SCHEMBL6464415 | 0.80 | CYP2C19 (0.56) | CA1CYP2C19HIF1AKIF11CA12 | |
| SCHEMBL27823794 | 0.80 | CYP2C19 (0.56) | CA1CYP2C19HIF1AKIF11CA12 | |
| SCHEMBL6647551 | 0.80 | CYP2C19 (0.56) | CA1CYP2C19HIF1AKIF11CA12 | |
| SCHEMBL27573423 | 0.79 | CYP2C19 (0.40) | CYP2C19HIF1ASMN1; SMN2KIF11 | |
| SCHEMBL390625 | 0.79 | MIF (0.50) | CYP2C19HIF1A | |
| SCHEMBL1147792 | 0.79 | MIF (0.50) | CYP2C19HIF1A |
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-1244611-B1 | SQUARIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | CELLTECH R&D LTD (GB) | 2004-06-30 | — | — | EP | disclosed |