Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 4/20 | 0.50 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.47 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15933264 | 0.84 | TP53 (0.51) | ALPLKDM5BMAPTGAACA12 | |
| SCHEMBL25139711 | 0.84 | TP53 (0.68) | ALPLMAPTGAACA12TP53 | |
| SCHEMBL30716607 | 0.83 | ALPL (0.74) | ALPLMAPTGAATP53SMN1; SMN2 | |
| SCHEMBL16699171 | 0.83 | ALPL (0.74) | ALPLMAPTGAATP53SMN1; SMN2 | |
| SCHEMBL643921 | 0.82 | TP53 (0.71) | ALPLCA12TP53SMN1; SMN2CA9 | |
| SCHEMBL15930144 | 0.82 | ADORA3 (0.51) | ALPLKDM5BMAPTGAACA12 | |
| SCHEMBL18726283 | 0.81 | SCN9A (0.54) | ALPLKDM5BMAPTGAACA12 | |
| SCHEMBL644902 | 0.81 | MAPT (0.72) | ALPLMAPTGAASMN1; SMN2PLK1 | |
| SCHEMBL18648619 | 0.79 | ALPL (0.58) | ALPLMAPTGAASMN1; SMN2 | |
| SCHEMBL16711444 | 0.77 | MAPT (0.53) | ALPLKDM5BMAPTGAACA12 |
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-9611274-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-04 | — | — | US | disclosed |