Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628740 | 0.77 | IDO1 (0.38) | IDO1ALDH1A1ENPP2LMNA | |
| SCHEMBL13628714 | 0.72 | IDO1 (0.32) | IDO1ENPP2PPARA | |
| SCHEMBL13628700 | 0.72 | ALOX5 (0.36) | ALOX5PTGS1PTGS2CHRM2CHRM4 | |
| SCHEMBL10066946 | 0.66 | METAP2 (0.44) | IDO1ALDH1A1ENPP2LMNA | |
| SCHEMBL13628742 | 0.66 | CA12 (0.37) | IDO1ALDH1A1ENPP2PPARA | |
| SCHEMBL13628712 | 0.66 | COMT (0.36) | PTGS2IDO1ALDH1A1ENPP2CYP1A2 | |
| SCHEMBL13628718 | 0.66 | ALOX5 (0.36) | ALOX5PTGS1PTGS2CHRM2CHRM4 | |
| SCHEMBL45858 | 0.65 | — | — | |
| SCHEMBL3744556 | 0.65 | IDO1 (0.50) | IDO1ALDH1A1ENPP2PPARA | |
| SCHEMBL15330895 | 0.64 | CHRM2 (0.35) | ALOX5PTGS1PTGS2CHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |