Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.74 |
| ▸ | ACACB | O00763 | 7/20 | 0.48 |
| ▸ | ACACA | Q13085 | 2/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | RXRB | P28702 | 2/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7005332 | 0.85 | PTGS2 (1.00) | PTGS2ACACBACACAAKR1C3AKR1C2 | |
| SCHEMBL7004869 | 0.82 | PTGS2 (0.78) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL3729385 | 0.76 | PTGS2 (0.58) | PTGS2HPGDMT-CO2 | |
| SCHEMBL4827831 | 0.75 | PTGS2 (0.67) | PTGS2ACACBACACAHPGD | |
| SCHEMBL254946 | 0.73 | MAPK1 (0.58) | — | |
| SCHEMBL13653513 | 0.72 | FFAR1 (0.54) | PTGS2ACACBAKR1C3AKR1C2RXRA | |
| SCHEMBL4612588 | 0.72 | PTGS2 (0.44) | PTGS2ACACBACACAAKR1C3AKR1C2 | |
| SCHEMBL2601861 | 0.72 | CXCR1 (0.49) | PTGS2AKR1C3AKR1C2HPGD | |
| SCHEMBL4007061 | 0.71 | MEN1 (0.54) | PTGS2ACACBAKR1C3AKR1C2HPGD | |
| SCHEMBL5319202 | 0.71 | GPR88 (0.58) | — |
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-1054857-B1 | BIARYL-ACETIC ACID DERIVATIVES AND THEIR USE AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2003-11-05 | — | — | EP | disclosed |
| US-5994379-A | Bisaryl COX-2 inhibiting compounds, compositions and methods of use | MERCK FROSST CANADA, INC. (CA) | 1999-11-30 | — | — | US | disclosed |