Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.78 |
| ▸ | MAOB | P27338 | 5/20 | 0.53 |
| ▸ | APP | P05067 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | FABP2 | P12104 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7012760 | 0.88 | PTGS2 (1.00) | PTGS2APPCYP2C19AKR1C3AKR1C2 | |
| SCHEMBL7008384 | 0.82 | PTGS2 (0.74) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL1543413 | 0.79 | LMNA (0.74) | PTGS2MAOBAPPCYP2C19AKR1C3 | |
| SCHEMBL13448835 | 0.79 | LMNA (0.74) | PTGS2MAOBAPPCYP2C19AKR1C3 | |
| SCHEMBL8755011 | 0.79 | LMNA (0.74) | PTGS2MAOBAPPCYP2C19AKR1C3 | |
| SCHEMBL24177869 | 0.79 | CYP2C19 (0.61) | PTGS2MAOBAPPCYP2C19AKR1C3 | |
| SCHEMBL4217335 | 0.79 | LMNA (0.74) | PTGS2MAOBAPPCYP2C19AKR1C3 | |
| SCHEMBL8755498 | 0.79 | LMNA (0.74) | PTGS2MAOBAPPCYP2C19AKR1C3 | |
| SCHEMBL8755392 | 0.79 | LMNA (0.74) | PTGS2MAOBAPPCYP2C19AKR1C3 | |
| SCHEMBL1543120 | 0.79 | LMNA (0.74) | PTGS2MAOBAPPCYP2C19AKR1C3 |
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 |