Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NEK2 | P51955 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20348450 | 0.81 | CRBN (0.34) | ALDH1A1CYP3A4HPGD | |
| SCHEMBL22516952 | 0.79 | CYP4F2 (0.56) | ALDH1A1CYP2C19TSHRCYP4F2CYP4A11 | |
| SCHEMBL23387563 | 0.78 | CYP2C19 (0.50) | ALDH1A1CYP2C19TSHRCYP4F2CYP4A11 | |
| SCHEMBL20323497 | 0.76 | L3MBTL1 (0.45) | ALDH1A1CYP2C19TSHRCYP4F2CYP4A11 | |
| SCHEMBL20323817 | 0.76 | GRIN2B (0.32) | ALDH1A1HPGD | |
| SCHEMBL23393832 | 0.75 | FAAH (0.44) | ALDH1A1TSHRCYP4F2CYP4A11HPGD | |
| SCHEMBL24719161 | 0.75 | TP53 (0.42) | ALDH1A1TSHRCYP4F2CYP4A11HTT | |
| SCHEMBL17072653 | 0.74 | ALDH1A1 (0.58) | ALDH1A1CYP2C19TSHRL3MBTL1POLB | |
| SCHEMBL20323510 | 0.74 | CRBN (0.31) | — | |
| SCHEMBL18404005 | 0.73 | MEN1 (0.34) | ALDH1A1HTTGAAKDM4ECYP3A4 |
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-2022184975-A1 | PROCESS FOR THE PREPARATION OF A CYP11A1 INHIBITOR AND INTERMEDIATES THEREOF | ORION CORPORATION (FI) | 2022-09-09 | — | — | WO | disclosed |