Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL31172125 | 0.88 | CASP3 (0.33) | GBA1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL22636487 | 0.88 | CASP3 (0.33) | GBA1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL17485426 | 0.87 | NPC1 (0.35) | GBA1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL25020373 | 0.86 | CASP3 (0.32) | GBA1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL29773056 | 0.86 | CASP3 (0.32) | GBA1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL23218005 | 0.86 | CASP3 (0.32) | GBA1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL29867943 | 0.86 | CASP3 (0.32) | GBA1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL7736866 | 0.86 | CASP3 (0.32) | GBA1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL26918578 | 0.81 | HTT (0.38) | GBA1CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL22905989 | 0.81 | CHRM2 (0.35) | GBA1CHRM2CHRM4CHRM5CHRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113861107-A | Preparation method of isavuconazole sulfate intermediate | 开封明仁药业有限公司 | 2021-12-31 | — | — | CN | claimed |
| WO-2022206862-A1 | PREPARATION METHOD FOR BICYCLIC COMPOUND AND APPLICATION AS ANTIFUNGAL AGENT | 上海济煜医药科技有限公司 | 2022-10-06 | — | — | WO | disclosed |
| CN-113861107-A | Preparation method of isavuconazole sulfate intermediate | 开封明仁药业有限公司 | 2021-12-31 | — | — | CN | disclosed |