Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 8/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9848115 | 0.69 | PTGS2 (0.47) | PTGS2PTGS1PDE3A | |
| SCHEMBL2775071 | 0.66 | GAA (0.64) | PTGS2BACE1GPBAR1 | |
| SCHEMBL9848113 | 0.65 | PTGS2 (0.43) | PTGS2PTGS1PDE3A | |
| SCHEMBL2777180 | 0.65 | PTGS2 (0.60) | PTGS2PTGS1PDE3ABACE1GPBAR1 | |
| SCHEMBL5730289 | 0.64 | MEN1 (0.43) | PTGS2PTGS1PDE3AGPBAR1 | |
| SCHEMBL7558640 | 0.64 | MEN1 (0.68) | PTGS2BACE1GPBAR1 | |
| SCHEMBL8880593 | 0.64 | SMN1; SMN2 (0.61) | — | |
| SCHEMBL2723582 | 0.64 | GPBAR1 (0.62) | PTGS2BACE1GPBAR1 | |
| SCHEMBL11893877 | 0.64 | ALDH1A1 (0.61) | PTGS2PTGS1BACE1GPBAR1 | |
| SCHEMBL9848202 | 0.64 | SMN1; SMN2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0414391-A2 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-02-27 | — | — | EP | disclosed |