Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CEL | P19835 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | PTPRF | P10586 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23045663 | 0.90 | HSD11B1 (0.44) | PTGS2ALDH1A1L3MBTL1HSD11B1MEN1 | |
| SCHEMBL9865925 | 0.86 | HTR6 (0.45) | — | |
| SCHEMBL10180538 | 0.85 | PTGS2 (0.49) | PTGS2PTGDR2ALDH1A1L3MBTL1HSD11B1 | |
| SCHEMBL9727330 | 0.84 | HTR6 (0.46) | — | |
| SCHEMBL10179999 | 0.82 | HSD11B1 (0.48) | PTGS2PTGDR2ALDH1A1L3MBTL1HSD11B1 | |
| SCHEMBL9727510 | 0.82 | HTR2C (0.51) | — | |
| SCHEMBL10192344 | 0.81 | PTGS2 (0.58) | PTGS2PTGDR2ALDH1A1CELHSD11B1 | |
| SCHEMBL1046363 | 0.81 | PTGES2 (0.51) | PTGS2PTGDR2HSD11B1PTGES2MAPT | |
| SCHEMBL4279326 | 0.81 | PTGS2 (0.46) | PTGS2PTGDR2ALDH1A1L3MBTL1HSD11B1 | |
| SCHEMBL10889537 | 0.81 | ALDH1A1 (0.44) | PTGS2PTGDR2ALDH1A1L3MBTL1CEL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5164514-A | Antispasmodics | ROUSSEL UCLAF (FR) | 1992-11-17 | — | — | US | disclosed |
| US-5081130-A | Antispasmodic agents | ROUSSEL UCLAF (FR) | 1992-01-14 | — | — | US | disclosed |
| US-4990531-A | Antispasmodic agents | ROUSSEL UCLAF (FR) | 1991-02-05 | — | — | US | disclosed |