Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 1.00 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7011375 | 1.00 | PTGS2 (1.00) | PTGS2HDAC1AKR1C3AKR1C2DGAT1 | |
| SCHEMBL7009837 | 0.86 | PTGS2 (0.75) | PTGS2HDAC1XDH | |
| SCHEMBL7009835 | 0.86 | PTGS2 (0.75) | PTGS2HDAC1XDH | |
| SCHEMBL7006513 | 0.81 | PTGS2 (0.72) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL7006507 | 0.81 | PTGS2 (0.72) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL11263783 | 0.77 | PTGS2 (0.61) | PTGS2AKR1C3AKR1C2CYP2C9 | |
| SCHEMBL917093 | 0.73 | PTGS2 (0.87) | PTGS2AKR1C3AKR1C2CYP2C9 | |
| SCHEMBL28874185 | 0.71 | PTGS2 (0.69) | PTGS2AKR1C3AKR1C2DGAT1SOAT1 | |
| SCHEMBL5208573 | 0.69 | HDAC1 (0.61) | PTGS2HDAC1AKR1C3AKR1C2 | |
| SCHEMBL5208565 | 0.69 | HDAC1 (0.61) | PTGS2HDAC1AKR1C3AKR1C2 |
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 |