Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.51 |
| ▸ | CXCR1 | P25024 | 5/20 | 0.46 |
| ▸ | CXCR2 | P25025 | 5/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | RARB | P10826 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL23610498 | 0.85 | CYP1A2 (0.45) | PTGS2NPC1RAB9A | |
| SCHEMBL237613 | 0.82 | PTGS2 (0.56) | PTGS2CXCR1CXCR2CHRM1PDE4A | |
| SCHEMBL12893245 | 0.81 | ALDH1A1 (0.51) | PTGS1LMNATSHRNPC1RAB9A | |
| SCHEMBL2803010 | 0.81 | SLC7A5 (0.57) | PTGS2CHRM1PTGS1LMNANFKB1 | |
| SCHEMBL9326256 | 0.80 | RAB9A (0.63) | LMNANPC1RAB9A | |
| SCHEMBL159833 | 0.80 | PTGS2 (0.55) | PTGS2CXCR1CXCR2PTGS1LMNA | |
| SCHEMBL21517639 | 0.80 | PTGS2 (0.55) | PTGS2CXCR1CXCR2CHRM1PDE4A | |
| SCHEMBL25192285 | 0.80 | PPARG (0.47) | LMNANPC1RAB9AMMP2 | |
| SCHEMBL19716467 | 0.79 | RAB9A (0.45) | LMNANPC1RAB9AMMP2 | |
| SCHEMBL11712095 | 0.79 | RAB9A (0.45) | LMNANPC1RAB9AMMP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3548013-A1 | FREE RADICAL-AND REACTIVE OXYGEN SPECIES-REACTING COMPOUNDS | Duke, Christopher (US) | 2019-10-09 | — | — | EP | disclosed |
| WO-2018102463-A1 | FREE RADICAL-AND REACTIVE OXYGEN SPECIES-REACTING COMPOUNDS | DUKE CHRISTOPHER (US) | 2018-06-07 | — | — | WO | disclosed |