Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.53 |
| ▸ | CCR5 | P51681 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.51 |
| ▸ | PTGER1 | P34995 | 11/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1196687 | 0.88 | CCR5 (0.64) | MRGPRX4CCR5PTGER1STAT3SLC6A4 | |
| Picolamine SCHEMBL29071785 | 0.88 | MEN1 (0.53) | MRGPRX4CCR5PTGER1ALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL6214742 | 0.87 | CCR5 (0.62) | MRGPRX4CCR5PTGER1STAT3SLC6A4 | |
| SCHEMBL6214597 | 0.81 | SLC6A4 (0.57) | MRGPRX4CCR5PTGER1ALDH1A1HTT | |
| SCHEMBL31252512 | 0.80 | ALDH1A1 (0.72) | PTGER1ALDH1A1HTTSMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6213322 | 0.80 | MRGPRX4 (0.62) | MRGPRX4CCR5SLC6A4CYP3A4 | |
| Hydrochloric Acid SCHEMBL6215773 | 0.78 | CCR5 (0.75) | MRGPRX4CCR5PTGER1STAT3SLC6A4 | |
| Hydrochloric Acid SCHEMBL6212335 | 0.75 | MRGPRX4 (0.57) | MRGPRX4CCR5PTGER1 | |
| SCHEMBL4720836 | 0.75 | PTGER1 (0.56) | CCR5PTGER1STAT3SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL29071808 | 0.75 | ALDH1A1 (0.56) | CCR5ABCB1ALDH1A1HTTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116687925-A | Aggressive protease inhibitor and application thereof | 中国科学院遗传与发育生物学研究所 | 2023-09-05 | — | — | CN | disclosed |