Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPEP | Q07075 | 1/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | BHMT | Q93088 | 1/20 | 0.33 |
| ▸ | BHMT2 | Q9H2M3 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13046473 | 0.86 | ACE2 (0.48) | ENPEPACE2GABRR1BHMTBHMT2 | |
| SCHEMBL9808870 | 0.81 | ACE2 (0.40) | ENPEPACE2GABRR1BHMTBHMT2 | |
| SCHEMBL14431504 | 0.81 | SLC1A2 (0.44) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL1067868 | 0.80 | BHMT (0.42) | BHMTCYP1A2ADRA1A | |
| SCHEMBL9302609 | 0.80 | — | — | |
| SCHEMBL96140 | 0.79 | ACE2 (0.32) | ACE2BHMTBHMT2 | |
| SCHEMBL9808871 | 0.78 | GABRP (0.45) | ENPEPCYP1A2BLMSLC6A3 | |
| SCHEMBL25188531 | 0.78 | CHRM1 (0.39) | ACE2BLMCA2MAPK1CHRM1 | |
| Hydrochloric Acid SCHEMBL9488746 | 0.78 | ACE2 (0.31) | ACE2 | |
| SCHEMBL31499508 | 0.78 | ACE2 (0.31) | ACE2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105814169-B | Composite nanoparticle comprising malonate derivative | 3M创新有限公司 | 2018-05-25 | — | — | CN | disclosed |
| US-9914874-B2 | Composite nanoparticles including a malonic acid derivative | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2018-03-13 | — | — | US | disclosed |
| US-20160304775-A1 | COMPOSITE NANOPARTICLES INCLUDING A MALONIC ACID DERIVATIVE | 3M INNOVATIVE PROPERTIES COMPANY | 2016-10-20 | — | — | US | disclosed |
| CN-105814169-A | Composite nanoparticles including a malonic acid derivative | 3M创新有限公司 | 2016-07-27 | — | — | CN | disclosed |