Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 6/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628712 | 0.78 | COMT (0.36) | COMTALDH1A1NPC1RAB9AGAA | |
| SCHEMBL13628745 | 0.74 | COMT (0.46) | COMTALDH1A1KDM4EGAAIDO1 | |
| SCHEMBL29764 | 0.69 | NPC1 (0.52) | ALDH1A1NPC1HSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL3744556 | 0.69 | IDO1 (0.50) | COMTALDH1A1KDM4EIDO1ENPP2 | |
| SCHEMBL4031086 | 0.68 | POLB (0.48) | ALDH1A1NPC1HSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL18410396 | 0.68 | NPC1 (0.46) | ALDH1A1NPC1HSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL4730858 | 0.68 | NPC1 (0.42) | ALDH1A1NPC1HSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL12982161 | 0.67 | NPC1 (0.50) | ALDH1A1NPC1HSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL120939 | 0.67 | NPC1 (0.50) | ALDH1A1NPC1HSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL12170048 | 0.67 | NPC1 (0.50) | ALDH1A1NPC1HSD17B10SMN1; SMN2KDM4E |
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 |