Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6205873 | 0.82 | PTGS2 (0.36) | TRPV1PTGS2PTGS1LMNACYP2C9 | |
| SCHEMBL5705409 | 0.82 | EPHX2 (0.34) | TRPV1PTGS2EPHX2PPARG | |
| SCHEMBL6206144 | 0.82 | FAAH (0.39) | — | |
| SCHEMBL6205475 | 0.81 | PTGS1 (0.41) | TRPV1PTGS2PTGS1LMNACYP2C9 | |
| SCHEMBL3280416 | 0.74 | PTGS2 (0.36) | TRPV1PTGS2PTGS1LMNACYP2C9 | |
| SCHEMBL8250616 | 0.69 | RORC (0.49) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| SCHEMBL31103468 | 0.68 | PTGS2 (0.42) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| SCHEMBL11409117 | 0.67 | EPHX2 (0.43) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| SCHEMBL31389023 | 0.66 | HIF1A (0.39) | LMNAESR1ADRB3NFKB1TSHR | |
| SCHEMBL7152528 | 0.66 | PTGS1 (0.39) | TRPV1PTGS2PTGS1LMNACYP2C9 |
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-1564200-A1 | Ketone compounds and compositions for cholesterol management and related uses | Esperion Therapeutics Inc. (US) | 2005-08-17 | — | — | EP | disclosed |