Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 1.00 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.62 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.62 |
| ▸ | RXRA | P19793 | 2/20 | 0.48 |
| ▸ | RXRB | P28702 | 2/20 | 0.48 |
| ▸ | ACACB | O00763 | 2/20 | 0.47 |
| ▸ | ACACA | Q13085 | 2/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7008384 | 0.85 | PTGS2 (0.74) | PTGS2AKR1C3AKR1C2RXRARXRB | |
| SCHEMBL5881684 | 0.84 | AKR1C3 (0.73) | PTGS2AKR1C3AKR1C2ACACBPTGS1 | |
| SCHEMBL7012760 | 0.81 | PTGS2 (1.00) | PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL31261551 | 0.78 | PTGS2 (0.64) | PTGS2AKR1C3AKR1C2RXRARXRB | |
| SCHEMBL917093 | 0.78 | PTGS2 (0.87) | PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL24991982 | 0.77 | AKR1C3 (1.00) | PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL20540540 | 0.77 | AKR1C3 (1.00) | PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL11498401 | 0.77 | AKR1C3 (1.00) | PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL458764 | 0.77 | AKR1C3 (0.64) | PTGS2AKR1C3AKR1C2ACACB | |
| SCHEMBL3674440 | 0.75 | AKR1C3 (0.70) | PTGS2AKR1C3AKR1C2RXRARXRB |
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 |