Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 4/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | RORA | P35398 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8100787 | 0.90 | PTGS2 (0.42) | CNR1KDM4EPOLBAKT1AKT2 | |
| SCHEMBL8094081 | 0.89 | KDM4E (0.42) | CNR1KDM4EPOLBCNR2PTGS2 | |
| SCHEMBL8776720 | 0.89 | PTGS2 (0.47) | CNR1KDM4EPOLBCNR2PTGS2 | |
| SCHEMBL8776866 | 0.83 | KDM4E (0.43) | CNR1KDM4EPOLBAKT1AKT2 | |
| SCHEMBL8776770 | 0.83 | SCN9A (0.45) | CNR1KDM4EPOLBAKT1AKT2 | |
| SCHEMBL8776752 | 0.81 | CNR1 (0.48) | CNR1AKT1AKT2RORCCNR2 | |
| SCHEMBL8776740 | 0.80 | CNR1 (0.52) | CNR1CNR2 | |
| SCHEMBL8776745 | 0.79 | KDM4E (0.46) | CNR1KDM4EPOLBAKT1AKT2 | |
| SCHEMBL8776824 | 0.79 | CNR1 (0.63) | CNR1CNR2 | |
| SCHEMBL8086380 | 0.78 | CNR1 (0.45) | CNR1KDM4EPOLBAKT1AKT2 |
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-0808304-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024584-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-15 | — | — | WO | disclosed |