Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 4/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24726636 | 0.76 | CTSA (0.51) | CTSACYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9009066 | 0.74 | CYP2A6 (0.65) | CYP2A6ALDH1A1CYP1A2CYP3A4GRM5 | |
| SCHEMBL24726546 | 0.74 | GBA1 (0.42) | ALDH1A1 | |
| SCHEMBL2480868 | 0.70 | MEN1 (0.62) | CYP2A6ALDH1A1CYP1A2CYP3A4GRM5 | |
| SCHEMBL9009013 | 0.70 | CYP2A6 (0.54) | CYP2A6ALDH1A1CYP1A2CYP3A4GRM5 | |
| SCHEMBL9657303 | 0.67 | CYP2A6 (0.54) | CTSACYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8882222 | 0.67 | CYP2A6 (0.54) | CYP2A6ALDH1A1CYP1A2CYP3A4GRM5 | |
| SCHEMBL2665948 | 0.67 | CYP2A6 (0.54) | CTSACYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30255126 | 0.67 | CYP2A6 (0.54) | CTSACYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9008997 | 0.67 | CYP3A4 (0.54) | CYP2A6ALDH1A1CYP1A2CYP3A4GRM5 |
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-2022234965-A1 | HETEROARYL DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT | 주식회사 보로노이 | 2022-11-10 | — | — | WO | disclosed |