Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCGR | P47871 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL7258672 | 0.93 | CACNA1B (0.38) | GCGRCACNA1BBRAFRPS6KA3LIMK1 | |
| SCHEMBL7257212 | 0.84 | APP (0.48) | ALDH1A1CACNA1BRPS6KA3KDM4EHPGD | |
| SCHEMBL7257157 | 0.80 | CACNA1B (0.39) | CACNA1BRPS6KA3CYP11B2ALOX5APFEN1 | |
| SCHEMBL7259043 | 0.80 | CYP1A2 (0.48) | RPS6KA3CYP11B2CYP11B1CYP2A6CYP17A1 | |
| SCHEMBL7253990 | 0.79 | CYP11B2 (0.37) | NPC1RAB9ASMN1; SMN2ALDH1A1CACNA1B | |
| SCHEMBL7257184 | 0.77 | CYP1A2 (0.51) | SMN1; SMN2HPGDCYP11B2ALOX5APFEN1 | |
| SCHEMBL7253776 | 0.77 | APP (0.51) | NPC1SMN1; SMN2ALDH1A1CACNA1BRPS6KA3 | |
| SCHEMBL7259545 | 0.77 | CYP2A6 (0.47) | ALDH1A1RPS6KA3CYP2A6 | |
| SCHEMBL7253719 | 0.76 | HSP90AA1 (0.41) | NPC1RAB9ASMN1; SMN2GAAMAPT | |
| SCHEMBL6647017 | 0.75 | APEX1 (0.45) | GCGRALDH1A1ALOX5CACNA1BGAA |
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-2003027105-A1 | SUBSTITUTED 3-PYRIDYL THIOPHENES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |