Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.42 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27867498 | 0.89 | AGTR2 (0.51) | AGTR2UCHL1USP30OPRM1OPRD1 | |
| SCHEMBL27883889 | 0.88 | AGTR2 (0.43) | AGTR2MCL1 | |
| SCHEMBL27883816 | 0.88 | TDP2 (0.43) | AGTR2 | |
| SCHEMBL27883815 | 0.88 | MMP8 (0.43) | AGTR2HSD17B3 | |
| SCHEMBL27883822 | 0.88 | OPRD1 (0.43) | AGTR2OPRM1OPRD1OPRK1 | |
| SCHEMBL27883868 | 0.87 | KMO (0.47) | AGTR2 | |
| SCHEMBL21941926 | 0.85 | AGTR2 (0.50) | AGTR2OPRM1OPRD1HSD17B3OPRK1 | |
| SCHEMBL27867449 | 0.84 | MMP8 (0.43) | AGTR2 | |
| SCHEMBL27867428 | 0.82 | AGTR2 (0.38) | AGTR2OPRM1OPRD1OPRK1ACE | |
| SCHEMBL27883823 | 0.82 | FFAR1 (0.48) | — |
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 2 patents. 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 | claimed |
| CN-102639497-A | Compounds inhibitors of enzyme lactate dehydrogenase (LDH) and pharmaceutical compositions containing these compounds | UNIV PISA | 2012-08-15 | — | — | CN | disclosed |