Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.65 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.47 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 11/20 | 0.46 |
| ▸ | CNR2 | P34972 | 9/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31185803 | 0.89 | PTGS2 (0.73) | PTGS2GPR84FUT7CA1CA2 | |
| SCHEMBL31185832 | 0.89 | PTGS2 (0.73) | PTGS2GPR84FUT7CA1CA2 | |
| SCHEMBL31185907 | 0.89 | PTGS2 (0.73) | PTGS2GPR84FUT7CA1CA2 | |
| SCHEMBL18586439 | 0.89 | PTGS2 (0.73) | PTGS2GPR84FUT7CA1CA2 | |
| SCHEMBL1171756 | 0.87 | PTGS2 (0.76) | PTGS2GPR84FUT7CA1CA2 | |
| SCHEMBL13369436 | 0.85 | PTGS2 (0.49) | PTGS2CYP3A4 | |
| SCHEMBL10296730 | 0.84 | PTGS2 (0.50) | PTGS2CNR1CNR2CYP3A4 | |
| SCHEMBL8732532 | 0.82 | PTGS2 (0.59) | PTGS2GPR84FUT7CYP3A4 | |
| Hexane SCHEMBL28393141 | 0.82 | ALDH1A1 (0.52) | PTGS2GPR84CNR1CNR2CYP3A4 | |
| SCHEMBL10636170 | 0.82 | PTGS2 (0.59) | PTGS2GPR84FUT7CYP3A4 |
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-2007077005-A1 | 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS | NOVARTIS AG (CH) | 2007-07-12 | — | — | WO | disclosed |