Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | 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 |
| ▸ | PRNP | P04156 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL14074871 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL4730858 | 0.78 | NPC1 (0.42) | NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL5812626 | 0.73 | CYP2A6 (0.38) | MEN1KMT2ARAB9ACYP2A6SMN1; SMN2 | |
| SCHEMBL710696 | 0.73 | MAPT (0.37) | MEN1KMT2ANPC1RAB9ATP53 | |
| SCHEMBL14641774 | 0.72 | SLC5A2 (0.34) | — | |
| SCHEMBL13628712 | 0.72 | COMT (0.36) | MEN1KMT2ANPC1RAB9APTGS2 | |
| SCHEMBL13621245 | 0.72 | DPP4 (0.41) | MEN1KMT2ANPC1RAB9APTGS2 | |
| SCHEMBL22782119 | 0.72 | — | — | |
| SCHEMBL24573403 | 0.71 | ALDH1A1 (0.41) | KMT2ASMN1; SMN2 | |
| SCHEMBL13628708 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |