Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 2/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 6/20 | 0.38 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5860841 | 0.83 | ITGB1 (0.47) | ITGB1ITGA4CA1CA2CYP2C19 | |
| SCHEMBL5862223 | 0.80 | CYP2C19 (0.54) | CA12CA1CA7CA14CYP2C19 | |
| SCHEMBL1573515 | 0.80 | CYP2C19 (0.54) | CA12CA1CA7CA14CYP2C19 | |
| SCHEMBL31477659 | 0.80 | CYP2C19 (0.54) | CA12CA1CA7CA14CYP2C19 | |
| SCHEMBL5862815 | 0.79 | MIF (0.49) | ITGB1ITGA4CYP2C19HIF1APPARG | |
| SCHEMBL6513375 | 0.79 | HIF1A (0.39) | ITGB1ITGA4CA12CA1CA2 | |
| Trifluoromethanesulfonic Acid SCHEMBL3995557 | 0.78 | CXCR2 (0.40) | CXCR2CA12CA1CA2CA9 | |
| SCHEMBL7048725 | 0.77 | CXCR2 (0.38) | CXCR2CA12CA1CA2CA9 | |
| SCHEMBL7442394 | 0.76 | CXCR2 (0.40) | CXCR2CA12CA1CA2CA9 | |
| SCHEMBL7306736 | 0.76 | CXCR2 (0.40) | CXCR2CA12CA1CA2CA9 |
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-6284912-B1 | Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives | LG CHEMICAL, LTD. (KR) | 2001-09-04 | — | — | US | claimed |