Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | AGXT | P21549 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5792220 | 0.93 | PTGS2 (0.48) | PTGS2MEN1ALDH1A1CYP1A2CASP1 | |
| SCHEMBL1384544 | 0.88 | MGLL (0.41) | PTGS2MGLLMRGPRX4DHODHPTGER4 | |
| SCHEMBL6531889 | 0.83 | CYP19A1 (0.44) | PTGS2CYP19A1MEN1ALDH1A1KMT2A | |
| SCHEMBL1386510 | 0.81 | AURKA (0.39) | PTGER4PTGER3CYP1A2PDE10A | |
| SCHEMBL1386167 | 0.80 | PTGS2 (0.43) | PTGS2MGLLMEN1ALDH1A1CYP1A2 | |
| SCHEMBL1385049 | 0.73 | PDE10A (0.43) | CYP1A2PDE10A | |
| SCHEMBL1384073 | 0.73 | CNR2 (0.47) | ALDH1A1PDE10ATP53 | |
| SCHEMBL1386325 | 0.73 | GABRG2 (0.42) | MEN1ALDH1A1KMT2APDE10APTGER1 | |
| SCHEMBL2584626 | 0.73 | MAOB (0.40) | CYP19A1CYP1A2PDE10A | |
| Hydrochloric Acid SCHEMBL2577843 | 0.72 | PDE10A (0.42) | CYP1A2PDE10A |
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-2005051917-A9 | PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS | AVENTIS PHARMA SA (FR) | 2005-09-29 | — | — | WO | disclosed |