Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP9 | P14780 | 2/20 | 0.44 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.44 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20514054 | 0.81 | SMN1; SMN2 (0.69) | LTB4RLMNASMN1; SMN2MMP1MMP2 | |
| SCHEMBL21964229 | 0.81 | LMNA (0.53) | LTB4RLMNASMN1; SMN2MMP1MMP2 | |
| SCHEMBL18415530 | 0.80 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20194447 | 0.80 | CYP3A4 (0.54) | LMNASMN1; SMN2ERN1ALDH1A1GAA | |
| SCHEMBL2095568 | 0.79 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7500143 | 0.79 | KDM4E (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2095565 | 0.79 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7500132 | 0.77 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1440034 | 0.77 | ALDH1A1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28493315 | 0.76 | LTB4R (0.39) | LTB4RLMNASMN1; SMN2MMP1MMP2 |
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-3326715-A1 | OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE | Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) | 2018-05-30 | — | — | EP | disclosed |