Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 3/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27867499 | 0.80 | AGTR2 (0.38) | ACE | |
| SCHEMBL27867409 | 0.78 | AGTR2 (0.52) | ACEHSD17B3 | |
| SCHEMBL1445011 | 0.77 | ACE (0.51) | ACE | |
| SCHEMBL27883815 | 0.75 | MMP8 (0.43) | TDP1EDNRBEDNRAHSD17B3 | |
| SCHEMBL27883822 | 0.75 | OPRD1 (0.43) | POLB | |
| SCHEMBL27883816 | 0.75 | TDP2 (0.43) | LMNA | |
| SCHEMBL23361203 | 0.73 | POLB (0.50) | POLBTDP1SRD5A1SRD5A2ACE | |
| SCHEMBL19748551 | 0.73 | POLB (0.50) | POLBTDP1SRD5A1SRD5A2ACE | |
| SCHEMBL9849102 | 0.73 | POLB (0.50) | POLBTDP1SRD5A1SRD5A2ACE | |
| SCHEMBL27883889 | 0.73 | AGTR2 (0.43) | — |
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-102639497-A | Compounds inhibitors of enzyme lactate dehydrogenase (LDH) and pharmaceutical compositions containing these compounds | UNIV PISA | 2012-08-15 | — | — | CN | disclosed |