Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TYR | P14679 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6364302 | 0.85 | ALOX5 (0.60) | ALDH1A1SMN1; SMN2CA2PTGS2ALOX5 | |
| SCHEMBL114843 | 0.85 | ALOX5 (0.60) | ALDH1A1SMN1; SMN2CA2PTGS2ALOX5 | |
| Acetic Acid SCHEMBL1227955 | 0.85 | CA2 (0.45) | ALDH1A1SMN1; SMN2CA2POLBTYR | |
| Acetic Acid SCHEMBL1229162 | 0.83 | MAPT (0.42) | ALDH1A1SMN1; SMN2CA2POLBTYR | |
| SCHEMBL14982909 | 0.83 | ALOX5 (0.43) | ALDH1A1POLBMAOBPTGS2ALOX5 | |
| SCHEMBL12770918 | 0.83 | MAOB (0.44) | ALDH1A1SMN1; SMN2CA2POLBTYR | |
| SCHEMBL12770895 | 0.82 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2CA2POLBTYR | |
| SCHEMBL15600640 | 0.81 | SIRT2 (0.49) | ALDH1A1SMN1; SMN2CA2POLBMAOB | |
| SCHEMBL18859049 | 0.81 | ALOX5 (0.52) | ALDH1A1SMN1; SMN2CA2POLBTYR | |
| SCHEMBL27804350 | 0.81 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2CA2POLBTYR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011119116-A1 | SELF-ASSEMBLED MULTI-NUCLEAR CATALYST FOR OLEFIN POLYMERIZATION | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2011-09-29 | — | — | WO | disclosed |