Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR4 | P51679 | 5/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.32 |
| ▸ | GCGR | P47871 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23110566 | 0.82 | MAPT (0.34) | CCR4MAPTSMN1; SMN2KDM4EKMT2A | |
| SCHEMBL23110919 | 0.82 | CCR4 (0.35) | CCR4GAAMAPTKDM4EALDH1A1 | |
| SCHEMBL29802431 | 0.77 | LRRK2 (0.48) | CCR4MAPK14PTGS1PTGS2 | |
| SCHEMBL23093460 | 0.77 | LRRK2 (0.48) | CCR4MAPK14PTGS1PTGS2 | |
| SCHEMBL23110910 | 0.72 | PDGFRB (0.49) | MAPTTP53SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL23093236 | 0.71 | FAAH (0.41) | CCR4MAPK14PTGS1PTGS2 | |
| SCHEMBL5213125 | 0.69 | CNR1 (0.51) | MAPTKDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL23110513 | 0.68 | CCR4 (0.34) | CCR4GAAMAPTSMN1; SMN2KDM4E | |
| SCHEMBL23093183 | 0.67 | CCR4 (0.40) | CCR4ALDH1A1CYP1A2 | |
| SCHEMBL23111067 | 0.67 | PLAU (0.32) | GAAMAPTKDM4EALDH1A1MAPK13 |
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-2021050700-A1 | CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF | THE BROAD INSTITUTE, INC. (US) | 2021-03-18 | — | — | WO | disclosed |