Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 4/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3713861 | 0.85 | CCR5 (0.54) | ALDH1A1HTTSMN1; SMN2LMNACCR5 | |
| SCHEMBL2686129 | 0.76 | ALDH1A1 (0.52) | ALDH1A1HTTSMN1; SMN2LMNAABCB1 | |
| Ammonia Solution, Strong SCHEMBL29071779 | 0.75 | MRGPRX4 (0.53) | ALDH1A1HTTSMN1; SMN2ABCB1CCR5 | |
| SCHEMBL6213337 | 0.74 | CCR5 (0.73) | ALDH1A1HTTSMN1; SMN2LMNACCR5 | |
| SCHEMBL1584529 | 0.73 | SLC6A4 (0.54) | ALDH1A1HTTSMN1; SMN2CCR5MAOB | |
| SCHEMBL14988643 | 0.73 | APP (0.64) | ALDH1A1HTTSMN1; SMN2LMNAABCB1 | |
| Hydrochloric Acid SCHEMBL7809482 | 0.73 | CCR5 (0.71) | ALDH1A1HTTSMN1; SMN2LMNACCR5 | |
| Bromide SCHEMBL8810240 | 0.73 | CCR5 (0.71) | ALDH1A1HTTSMN1; SMN2LMNACCR5 | |
| SCHEMBL31252520 | 0.72 | ALDH1A1 (0.98) | ALDH1A1HTTSMN1; SMN2LMNAPOLB | |
| SCHEMBL31644088 | 0.71 | SLC6A4 (0.66) | ALDH1A1HTTSMN1; SMN2LMNACCR5 |
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 |