Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8196861 | 0.90 | PTGS2 (0.43) | PTGS2PTGS1RAB9AALDH1A1LMNA | |
| SCHEMBL8196005 | 0.89 | MEN1 (0.39) | PTGS2GAATSHRHTTSMN1; SMN2 | |
| SCHEMBL8188096 | 0.88 | PTGS2 (0.42) | PTGS2PTGS1POLB | |
| SCHEMBL8058037 | 0.85 | PTGS2 (0.57) | PTGS2PTGS1 | |
| SCHEMBL8188126 | 0.83 | MEN1 (0.40) | PTGS2GAATSHRHTTSMN1; SMN2 | |
| SCHEMBL8195559 | 0.82 | POLB (0.40) | PTGS2GAATSHRHTTSMN1; SMN2 | |
| SCHEMBL8196014 | 0.80 | ALDH1A1 (0.37) | PTGS2TSHRSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8202139 | 0.79 | MAPT (0.44) | PTGS2GAASMN1; SMN2PTGS1POLB | |
| SCHEMBL8199102 | 0.79 | ALDH1A1 (0.36) | GAATSHRHTTSMN1; SMN2RAB9A | |
| SCHEMBL8201204 | 0.78 | PTGS2 (0.39) | PTGS2GAATSHRHTTSMN1; SMN2 |
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-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | disclosed |