Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | RET | P07949 | 1/20 | 0.51 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.51 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.51 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.51 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.51 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.51 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ALPL | P05186 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7051619 | 0.77 | TP53 (0.60) | TP53MAPTCHEK1RETPDGFRB | |
| SCHEMBL25139711 | 0.76 | TP53 (0.68) | TP53MAPTCHEK1RETPDGFRB | |
| SCHEMBL7386480 | 0.74 | ALPG (0.51) | TP53MAPTCHEK1RETPDGFRB | |
| SCHEMBL27887288 | 0.73 | TP53 (0.79) | TP53MAPTCHEK1RETPDGFRB | |
| SCHEMBL726574 | 0.73 | TP53 (1.00) | TP53CHEK1RETPDGFRBPIM1 | |
| SCHEMBL2937587 | 0.72 | KDM4E (0.63) | MAPTGAAADORA3KDM4ERGS12 | |
| Hydrochloric Acid SCHEMBL28800536 | 0.72 | TP53 (0.77) | TP53MAPTCHEK1RETPDGFRB | |
| SCHEMBL2558066 | 0.71 | CHEK1 (0.71) | TP53MAPTCHEK1RETPDGFRB | |
| SCHEMBL2789578 | 0.70 | TP53 (0.74) | TP53MAPTCHEK1RETPDGFRB | |
| SCHEMBL10242682 | 0.70 | TP53 (0.74) | TP53MAPTCHEK1RETPDGFRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1119351-A2 | USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS | Grünenthal GmbH (DE) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000019989-A2 | USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS | Grünenthal GmbH (DE) | 2000-04-13 | — | — | WO | disclosed |