Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.72 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | FABP2 | P12104 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7006513 | 1.00 | PTGS2 (0.72) | PTGS2MEN1FABP2TSHRAKR1C4 | |
| SCHEMBL7011372 | 0.81 | PTGS2 (1.00) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL7011375 | 0.81 | PTGS2 (1.00) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL11263783 | 0.80 | PTGS2 (0.61) | PTGS2TSHRPTGS1AKR1C3AKR1C2 | |
| SCHEMBL27946719 | 0.78 | PLAAT3 (0.44) | PTGS2 | |
| SCHEMBL27567318 | 0.78 | PLAAT3 (0.44) | PTGS2 | |
| SCHEMBL31558750 | 0.78 | PLAAT3 (0.44) | PTGS2 | |
| SCHEMBL1211557 | 0.78 | PTGS2 (1.00) | PTGS2MEN1FABP2TSHRAKR1C4 | |
| SCHEMBL7826539 | 0.78 | PTGS2 (1.00) | PTGS2MEN1FABP2TSHRAKR1C4 | |
| Hydrochloric Acid SCHEMBL5753890 | 0.76 | PTGS2 (0.96) | PTGS2MEN1FABP2TSHRAKR1C4 |
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 |