Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7253763 | 0.93 | RPS6KA3 (0.37) | CYP11B2RPS6KA3MEN1KMT2AOPRL1 | |
| SCHEMBL7259043 | 0.82 | CYP1A2 (0.48) | CYP11B2RPS6KA3MEN1KMT2AOPRL1 | |
| SCHEMBL7257184 | 0.79 | CYP1A2 (0.51) | CYP11B2OPRL1SMN1; SMN2LMNAHPGD | |
| SCHEMBL7258682 | 0.79 | GCGR (0.45) | CYP11B2RPS6KA3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7257178 | 0.76 | CYP3A4 (0.47) | RPS6KA3NPC1RAB9ARXFP1MAPT | |
| SCHEMBL7257212 | 0.76 | APP (0.48) | CYP11B2RPS6KA3CACNA1BHPGDALDH1A1 | |
| SCHEMBL7258670 | 0.74 | CYP1A2 (0.51) | CYP11B2RPS6KA3OPRL1CYP17A1CYP1A2 | |
| SCHEMBL7259298 | 0.73 | CYP11B2 (0.47) | CYP11B2OPRL1MAPTGSK3BALDH1A1 | |
| SCHEMBL7259545 | 0.72 | CYP2A6 (0.47) | RPS6KA3ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13735438 | 0.71 | CYP11B2 (0.44) | CYP11B2RPS6KA3OPRL1MAPTGSK3B |
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 |