Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8123369 | 0.86 | PDCD1 (0.44) | GABRA1GABRB2PDCD1CD274DHODH | |
| SCHEMBL9989326 | 0.84 | TNF (0.42) | GABRA1GABRB2DHODHPPARGPPARA | |
| SCHEMBL8632293 | 0.79 | KMT2A (0.46) | GABRA1GABRB2PPARGPPARAS1PR1 | |
| SCHEMBL9990036 | 0.76 | DHODH (0.39) | DHODHPPARGPPARAPTGS1PTGS2 | |
| SCHEMBL8755224 | 0.76 | PPARA (0.54) | PPARGPPARALMNAS1PR1MEN1 | |
| SCHEMBL8121859 | 0.76 | S1PR1 (0.42) | GABRA1GABRB2PPARGPPARAS1PR1 | |
| SCHEMBL9394493 | 0.76 | KMT2A (0.47) | GABRA1GABRB2PDCD1CD274PPARG | |
| SCHEMBL9394499 | 0.74 | PTGS1 (0.47) | GABRA1GABRB2PTGS1PTGS2LMNA | |
| SCHEMBL13061454 | 0.74 | ALDH1A1 (0.52) | GABRA1GABRB2DHODHPTGS1PTGS2 | |
| SCHEMBL25146506 | 0.73 | PDCD1 (0.43) | GABRA1GABRB2PDCD1CD274MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011163610-A2 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2011-12-29 | — | — | WO | disclosed |