Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.37 |
| ▸ | GCGR | P47871 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | PRF1 | P14222 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL7258682 | 0.93 | GCGR (0.45) | CACNA1BCYP11B1CYP11B2BRAFRPS6KA3 | |
| SCHEMBL7257157 | 0.86 | CACNA1B (0.39) | CACNA1BCYP11B1CYP11B2RPS6KA3CYP2A6 | |
| SCHEMBL7259545 | 0.83 | CYP2A6 (0.47) | RPS6KA3CYP2A6 | |
| SCHEMBL7253776 | 0.83 | APP (0.51) | CACNA1BCYP11B1CYP11B2RPS6KA3CYP2A6 | |
| SCHEMBL7258670 | 0.78 | CYP1A2 (0.51) | CYP11B1CYP11B2RPS6KA3CYP2A6CYP17A1 | |
| SCHEMBL7257212 | 0.77 | APP (0.48) | CACNA1BCYP11B1CYP11B2RPS6KA3IDO1 | |
| SCHEMBL7253763 | 0.77 | RPS6KA3 (0.37) | CYP11B1CYP11B2RPS6KA3GCGRCYP2A6 | |
| SCHEMBL7257202 | 0.75 | CYP1A2 (0.54) | RPS6KA3CYP2A6CYP17A1 | |
| SCHEMBL6627829 | 0.75 | KDM4E (0.59) | — | |
| SCHEMBL7253741 | 0.74 | KDM4E (0.44) | IDO1CYP2A6 |
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 |