Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER1 | P34995 | 1/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.43 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | ALPG | P10696 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | PPARA | Q07869 | 4/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6346285 | 0.95 | CYP2C19 (0.46) | CYP2C19SMN1; SMN2ALDH1A1PPARAPPARG | |
| SCHEMBL6344402 | 0.88 | ALDH1A1 (0.49) | SMN1; SMN2ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL6345166 | 0.85 | ALDH1A1 (0.46) | SMN1; SMN2CYP3A4ALDH1A1RAB9ALMNA | |
| SCHEMBL7202673 | 0.84 | PPARA (0.39) | CYP2C19ALDH1A1PPARAPPARGLMNA | |
| SCHEMBL6346577 | 0.78 | ELANE (0.44) | CYP2C19SMN1; SMN2HTTCYP1A2ALDH1A1 | |
| SCHEMBL6342853 | 0.78 | ALDH1A1 (0.46) | SMN1; SMN2CYP3A4ALDH1A1RAB9ALMNA | |
| SCHEMBL6352946 | 0.77 | ALDH1A1 (0.40) | CYP2C19SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2152137 | 0.75 | ALDH1A1 (0.53) | SMN1; SMN2ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL6689309 | 0.75 | ALDH1A1 (0.41) | CYP2C19SMN1; SMN2ALDH1A1PPARAPPARG | |
| SCHEMBL6393090 | 0.75 | ALDH1A1 (0.53) | SMN1; SMN2CYP3A4ALDH1A1LMNA |
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-2002030882-A9 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS INC (US) | 2003-02-20 | — | — | WO | disclosed |