Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 11/20 | 0.68 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.68 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.68 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | FABP2 | P12104 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.68 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.68 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.68 |
| ▸ | HTR2C | P28335 | 1/20 | 0.68 |
| ▸ | DRD3 | P35462 | 1/20 | 0.68 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.68 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL11414082 | 0.83 | AKR1C3 (0.71) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL6187401 | 0.81 | UGT2B7 (0.47) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| Flurbiprofen SCHEMBL8754978 | 0.81 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL11692217 | 0.81 | AKR1C3 (0.68) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| Flurbiprofen SCHEMBL10029029 | 0.81 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| Flurbiprofen SCHEMBL8754830 | 0.81 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| Flurbiprofen SCHEMBL8755275 | 0.81 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| SCHEMBL11692208 | 0.81 | AKR1C3 (0.68) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| Esflurbiprofen SCHEMBL505817 | 0.81 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1MEN1 | |
| Tarenflurbil SCHEMBL26131 | 0.81 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001014328-A2 | SUBSTITUTED UREAS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-03-01 | — | — | WO | disclosed |