Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL2927672 | 0.76 | SMN1; SMN2 (0.48) | CYP2C9LMNATRPA1CYP3A4CYP1A2 | |
| SCHEMBL196800 | 0.74 | TAAR1 (0.48) | PTGS1PTGS2CYP2C9LMNAAKR1C3 | |
| SCHEMBL6608122 | 0.74 | EPHX2 (0.44) | POLBACACBLMNATSHR | |
| SCHEMBL9392395 | 0.74 | SMN1; SMN2 (0.47) | POLB | |
| SCHEMBL3200869 | 0.73 | ESR1 (0.41) | ACACBESR1TRPA1TSHRESR2 | |
| SCHEMBL6606841 | 0.72 | EPHX2 (0.46) | PTGS2AKR1C3 | |
| SCHEMBL10029148 | 0.72 | CYP2A6 (0.46) | CYP2C9TSHRCYP1A2CYP2D6 | |
| SCHEMBL5693763 | 0.72 | KMT2A (0.59) | POLBACACBLMNA | |
| SCHEMBL30885553 | 0.72 | KMT2A (0.59) | POLBACACBLMNA | |
| SCHEMBL41070 | 0.70 | ESR1 (0.44) | ACACBESR1TSHRCYP3A4ESR2 |
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-1404330-A1 | SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003002118-A1 | SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-01-09 | — | — | WO | disclosed |