Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | BCR | P11274 | 1/20 | 0.34 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21134114 | 0.92 | CYP11B1 (0.45) | CYP11B1CYP11B2RPS6KA3PDK2APP | |
| SCHEMBL16265268 | 0.84 | RARB (0.43) | CYP2C19CYP3A4POLBMCL1 | |
| SCHEMBL29033865 | 0.83 | PTGS2 (0.41) | APPCYP2C19ABCB1ABL1BCR | |
| SCHEMBL25070289 | 0.83 | HSD17B1 (0.47) | CYP11B1CYP11B2CYP2C19CYP3A4 | |
| SCHEMBL19636766 | 0.81 | RARA (0.45) | CYP11B1CYP11B2CYP2C19CYP3A4POLB | |
| SCHEMBL19682268 | 0.81 | APP (0.41) | CYP11B1CYP11B2RPS6KA3PDK2APP | |
| SCHEMBL19456617 | 0.81 | GABRA1 (0.42) | CYP11B1CYP11B2PDK2CYP3A4POLB | |
| SCHEMBL26775153 | 0.79 | PTGS2 (0.36) | APPABCB1ABL1BCR | |
| SCHEMBL21537510 | 0.76 | PDE3B (0.38) | CYP11B1CYP11B2RPS6KA3PDK2DHODH | |
| SCHEMBL22022025 | 0.76 | APP (0.45) | RPS6KA3APPCYP2C19CYP3A4CLK1 |
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-2017174619-A1 | INTERMEDIATES AND PROCEDURES FOR THE SYNTHESIS OF FUNCTIONAL MATERIALS | MERCK PATENT GMBH (DE) | 2017-10-12 | — | — | WO | disclosed |