Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.47 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.47 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.47 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18270227 | 0.89 | PTGS1 (0.45) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| SCHEMBL2579982 | 0.87 | PTGS1 (0.57) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| SCHEMBL11114591 | 0.84 | MAPT (0.56) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| SCHEMBL11210086 | 0.84 | MAPT (0.56) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| Hydrogen Peroxide SCHEMBL11174890 | 0.83 | PTGS1 (0.64) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| Hydrogen Peroxide SCHEMBL9581059 | 0.83 | PTGS1 (0.64) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| SCHEMBL20251135 | 0.82 | RAB9A (0.50) | PTGS1PTGS2CYP2C9IDO1 | |
| SCHEMBL20251140 | 0.82 | RAB9A (0.50) | PTGS1PTGS2CYP2C9IDO1 | |
| SCHEMBL20258491 | 0.82 | L3MBTL1 (0.45) | CYP2C9TSHRIDO1 | |
| SCHEMBL18211430 | 0.82 | ALDH1A1 (0.50) | PTGS1PTGS2ALOX5LMNACYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-20230174680-A1 | CYCLODEXTRIN-BASED POLYROTAXANES AND PROTEIN HYBRIDS AS THREE-DIMENSIONAL PRINTING INKS | TRUSTEES OF DARTMOUTH COLLEGE (US) | 2023-06-08 | — | — | US | disclosed |