Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1B | P36896 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.30 |
| ▸ | PTGES | O14684 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28929446 | 1.00 | ACVR1B (0.32) | ACVR1BTGFBR1ACVRL1S1PR3CYP2C9 | |
| SCHEMBL30309823 | 0.80 | MDM2 (0.33) | — | |
| SCHEMBL28928893 | 0.75 | MKNK2 (0.41) | MKNK2 | |
| SCHEMBL25839665 | 0.71 | ACVR1B (0.32) | ACVR1BTGFBR1ACVRL1MKNK2 | |
| SCHEMBL22105605 | 0.69 | MKNK2 (0.41) | ACVR1BTGFBR1ACVRL1MKNK2SCN9A | |
| SCHEMBL25839563 | 0.69 | ALDH1A1 (0.34) | MKNK2 | |
| SCHEMBL30309824 | 0.69 | ALDH1A1 (0.34) | MKNK2 | |
| SCHEMBL25839577 | 0.69 | ALDH1A1 (0.35) | MKNK2 | |
| SCHEMBL30411121 | 0.69 | MKNK2 (0.42) | MKNK2 | |
| SCHEMBL25839656 | 0.69 | ALDH1A1 (0.33) | MKNK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113754682-B | Compound having macrocyclic structure and use thereof | 赛诺哈勃药业（成都）有限公司 | 2023-01-06 | — | — | CN | disclosed |
| CN-113754682-A | Compounds having macrocyclic structure and uses thereof | 成都倍特药业股份有限公司 | 2021-12-07 | — | — | CN | disclosed |