Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.61 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA4 | P22748 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GMNN | O75496 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8122571 | 0.93 | PTGS2 (0.64) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL8421634 | 0.91 | KDM4E (0.53) | PTGS2PTGS1KDM4EGMNNUSP2 | |
| SCHEMBL8120953 | 0.89 | PTGS2 (0.72) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL6349532 | 0.85 | PTGS2 (0.69) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL8424083 | 0.84 | KDM4E (0.62) | PTGS2PTGS1KDM4EGMNNUSP2 | |
| SCHEMBL8120834 | 0.83 | PTGS2 (0.71) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL6351372 | 0.83 | PTGS2 (0.67) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL8194610 | 0.83 | PTGS2 (0.67) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL8120121 | 0.81 | PTGS2 (0.62) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL8421959 | 0.81 | CA12 (0.43) | PTGS2PTGS1CA1CA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0731796-B1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-08-02 | — | — | EP | disclosed |
| US-5434178-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G.D. SEARLE & CO. (US) | 1995-07-18 | — | — | US | disclosed |