Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | P2RY14 | Q15391 | 3/20 | 0.39 |
| ▸ | TSPO | P30536 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 4/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | PTPRB | P23467 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | EIF4E | P06730 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL542216 | 0.87 | KCNH2 (0.42) | KCNH2ARTRPA1PTPRBP2RX7 | |
| SCHEMBL5306222 | 0.79 | NOTUM (0.53) | NOTUMKCNH2NPC1RAB9A | |
| SCHEMBL5802155 | 0.79 | NOTUM (0.51) | NOTUMP2RY14TSPOCYP2C9TMEM97 | |
| SCHEMBL5332136 | 0.78 | IDO1 (0.38) | KCNH2ARTRPA1P2RX7IDO1 | |
| SCHEMBL15084169 | 0.78 | NTRK1 (0.40) | CYP2C9ARTRPA1PTPRBP2RX7 | |
| SCHEMBL1220445 | 0.74 | KCNH2 (0.51) | KCNH2P2RY14TSPOCYP2C9TMEM97 | |
| SCHEMBL1437522 | 0.74 | P2RY14 (0.38) | NOTUMKCNH2P2RY14TSPOCYP2C9 | |
| SCHEMBL103310 | 0.73 | NOTUM (0.70) | NOTUMP2RY14TSPOCYP2C9TMEM97 | |
| SCHEMBL3721640 | 0.73 | KCNH2 (0.39) | NOTUMKCNH2NPC1RAB9A | |
| SCHEMBL3721862 | 0.73 | CACNA1G (0.42) | KCNH2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007034445-A2 | NOVEL PIPERAZINE DERIVATIVES AS RENIN INHIBITORS FOR CARDIOVASCULAR EVENTS AND RENAL INSUFFICIENCY | ACTELION PHARMACEUTICALS LTD (CH) | 2007-03-29 | — | — | WO | disclosed |
| WO-2006064484-A1 | AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-06-22 | — | — | WO | disclosed |