Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CLK1 | P49759 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22828090 | 0.87 | PTGS2 (0.72) | PTGS2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL22827972 | 0.86 | PTGS2 (0.70) | PTGS2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL22828113 | 0.83 | PTGS2 (0.49) | PTGS2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL22827966 | 0.82 | PTGS2 (0.79) | PTGS2 | |
| SCHEMBL24334943 | 0.78 | PTGS2 (0.60) | PTGS2 | |
| SCHEMBL22827979 | 0.72 | KDM4E (0.54) | PTGS2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL22828107 | 0.71 | ALDH1A1 (0.54) | PTGS2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL22827914 | 0.71 | PTGS2 (0.65) | PTGS2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL22828089 | 0.70 | PTGS2 (1.00) | PTGS2 | |
| SCHEMBL22827970 | 0.69 | PTGS2 (1.00) | PTGS2 |
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-2020257653-A1 | RADIOLABELED COMPOUNDS AND USES THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2020-12-24 | — | — | WO | disclosed |