Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.56 |
| ▸ | EGFR | P00533 | 2/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.46 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | 0.76 | PTGS2 (1.00) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL29596413 | 0.75 | PTGS2 (0.62) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL4535243 | 0.74 | LMNA (0.58) | HDAC1HDAC6CYP3A4PIM1PIM3 | |
| SCHEMBL29915977 | 0.74 | PTGS2 (0.62) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL28206469 | 0.74 | PTGS2 (0.58) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL29915998 | 0.74 | PTGS2 (0.58) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL1820805 | 0.73 | HDAC1 (0.66) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL11864560 | 0.73 | HDAC1 (0.66) | PTGS2PTGS1EGFRHDAC1HDAC6 | |
| SCHEMBL29916085 | 0.72 | P4HTM (0.46) | PTGS2EGFRHDAC1 | |
| SCHEMBL29551608 | 0.71 | PTGS2 (0.66) | 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 |