Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | CXCL8 | P10145 | 5/20 | 0.36 |
| ▸ | CLIC1 | O00299 | 1/20 | 0.36 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.36 |
| ▸ | CAMK2A | Q9UQM7 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.35 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.35 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7192003 | 0.78 | AKR1B1 (0.44) | AKR1B1PTGDR2CXCL8CLIC1CLCN2 | |
| SCHEMBL4900831 | 0.77 | CXCL8 (0.50) | AKR1B1CXCL8CLIC1CLCN2CAMK2A | |
| Hydrochloric Acid SCHEMBL11408340 | 0.75 | CXCL8 (0.49) | AKR1B1CXCL8CLIC1CLCN2CAMK2A | |
| SCHEMBL9792845 | 0.74 | CYP3A4 (0.32) | ALDH1A1 | |
| SCHEMBL30423273 | 0.73 | DPP4 (0.40) | PTGDRPTGDR2CLCN2ALDH1A1 | |
| SCHEMBL55504 | 0.73 | AKR1B1 (0.65) | AKR1B1CXCL8CLIC1CLCN2CAMK2A | |
| SCHEMBL29397431 | 0.73 | AKR1B1 (0.65) | AKR1B1CXCL8CLIC1CLCN2CAMK2A | |
| SCHEMBL1701239 | 0.73 | AKR1B1 (0.65) | AKR1B1CXCL8CLIC1CLCN2CAMK2A | |
| SCHEMBL6391049 | 0.72 | PTGDR (0.60) | PTGDRPTGDR2CXCL8CYP2C9KEAP1 | |
| SCHEMBL11497864 | 0.72 | TDP1 (0.54) | AKR1B1CYP2C9ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1032561-B1 | SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2004-02-11 | — | — | EP | disclosed |
| EP-1032561-A1 | SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 2000-09-06 | — | — | EP | disclosed |
| US-6063926-A | HAVING GREATER BIOACTIVITY | SCHERING CORPORATION (US) | 2000-05-16 | — | — | US | disclosed |
| WO-1999026924-A1 | SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1999-06-03 | — | — | WO | disclosed |