Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL13628703 | 0.72 | MEN1 (0.34) | MEN1NPC1RAB9AKMT2APTGS2 | |
| SCHEMBL13628716 | 0.72 | COMT (0.36) | COMTIDO1ALDH1A1GAAENPP2 | |
| SCHEMBL13621245 | 0.72 | DPP4 (0.41) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL20814635 | 0.70 | DPP4 (0.44) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL2027946 | 0.70 | DPP4 (0.44) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL12362134 | 0.67 | PRMT6 (0.43) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL10160999 | 0.67 | HDAC1 (0.43) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL14586198 | 0.66 | PRMT6 (0.42) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL13628745 | 0.66 | COMT (0.46) | COMTIDO1ALDH1A1GAAENPP2 | |
| SCHEMBL10066946 | 0.66 | METAP2 (0.44) | IDO1NPC1RAB9AALDH1A1GAA |
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 |