Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 7/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 13/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.55 |
| ▸ | PTGES | O14684 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | PDE5A | O76074 | 1/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2718293 | 0.89 | PDPK1 (0.78) | PDPK1PTGS2CA9 | |
| SCHEMBL15346826 | 0.86 | PDPK1 (0.77) | PDPK1PTGS2PTGS1CYP2C9 | |
| SCHEMBL2732571 | 0.85 | PDPK1 (0.72) | PDPK1PTGS2PTGS1CYP2C9 | |
| SCHEMBL15347056 | 0.85 | PTGS2 (0.63) | PDPK1PTGS2PTGS1PTGESHDAC3 | |
| SCHEMBL15347135 | 0.85 | PTGS2 (0.64) | PDPK1PTGS2PTGS1PTGESHDAC3 | |
| SCHEMBL15346636 | 0.83 | PDPK1 (0.70) | PDPK1PTGS2PTGS1 | |
| SCHEMBL2720059 | 0.83 | PTGS2 (0.75) | PDPK1PTGS2PTGS1PTGESHDAC3 | |
| SCHEMBL15346929 | 0.82 | PDPK1 (0.76) | PDPK1PTGS2PTGS1PTGESHDAC3 | |
| SCHEMBL15347122 | 0.82 | PDPK1 (0.78) | PDPK1PTGS2PTGS1HDAC3HDAC4 | |
| SCHEMBL15346937 | 0.81 | PDPK1 (0.62) | PDPK1PTGS2PTGS1PTGES |
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-2635274-B1 | ANTI-STAPHYLOCOCCAL CELECOXIB DERIVATIVES | UNIV OHIO STATE RES FOUND (US) | 2017-12-06 | — | — | EP | disclosed |