Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 5/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | CTSA | P10619 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.39 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 2/20 | 0.36 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.36 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17646752 | 1.00 | LDHA (0.47) | LDHAFFAR4CTSAKEAP1NFE2L2 | |
| SCHEMBL28490188 | 0.90 | FFAR4 (0.43) | LDHAFFAR4CTSATARBP2XDH | |
| SCHEMBL19440642 | 0.89 | NPC1 (0.43) | LDHAFFAR4CTSAXDHNPC1 | |
| SCHEMBL19412304 | 0.89 | FFAR4 (0.47) | LDHAFFAR4CTSADHODHNR1H4 | |
| SCHEMBL17648799 | 0.87 | FFAR4 (0.41) | LDHAFFAR4CTSANPC1RAB9A | |
| SCHEMBL19412362 | 0.87 | FFAR4 (0.46) | LDHAFFAR4CTSADHODHNR1H4 | |
| SCHEMBL29862091 | 0.86 | AAK1 (0.41) | LDHAFFAR4CTSA | |
| SCHEMBL17647428 | 0.86 | AAK1 (0.41) | LDHAFFAR4CTSA | |
| SCHEMBL19412295 | 0.85 | FFAR4 (0.45) | LDHAFFAR4CTSADHODHNR1H4 | |
| SCHEMBL17649993 | 0.84 | FFAR4 (0.46) | LDHAFFAR4CTSADHODHNR1H4 |
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-4013759-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2022-06-22 | — | — | EP | disclosed |