Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.58 |
| ▸ | EGFR | P00533 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.47 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.44 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.44 |
| ▸ | PRKAA2 | P54646 | 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 | |
|---|---|---|---|---|
| SCHEMBL10718560 | 0.77 | PTGS2 (1.00) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL11864560 | 0.74 | HDAC1 (0.66) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL1820805 | 0.74 | HDAC1 (0.66) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL29916100 | 0.74 | PTGS2 (0.60) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL29551608 | 0.72 | PTGS2 (0.66) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL29915998 | 0.72 | PTGS2 (0.58) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL28206469 | 0.72 | PTGS2 (0.58) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| Nicoxamat SCHEMBL93839 | 0.71 | HDAC1 (1.00) | PTGS2PTGS1HDAC1HDAC6LMNA | |
| SCHEMBL15647894 | 0.71 | PTGS2 (0.83) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL108479 | 0.71 | PTGS2 (0.60) | PTGS2PTGS1EGFRHDAC1HDAC6 |
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-3798214-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2022-09-14 | — | — | EP | claimed |