Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27867409 | 0.82 | AGTR2 (0.52) | AGTR2OPRM1OPRD1OPRK1ACE | |
| SCHEMBL27883823 | 0.82 | FFAR1 (0.48) | MMP3MMP8MMP13 | |
| SCHEMBL27883815 | 0.80 | MMP8 (0.43) | AGTR2MMP3MMP8MMP13DRD4 | |
| SCHEMBL27883816 | 0.80 | TDP2 (0.43) | AGTR2 | |
| SCHEMBL27883822 | 0.80 | OPRD1 (0.43) | AGTR2MMP3MMP8OPRM1OPRD1 | |
| SCHEMBL27867449 | 0.76 | MMP8 (0.43) | AGTR2MMP3MMP8S1PR5 | |
| SCHEMBL27883889 | 0.75 | AGTR2 (0.43) | AGTR2S1PR5 | |
| SCHEMBL28800024 | 0.74 | ERN1 (0.38) | AGTR2 | |
| SCHEMBL27883868 | 0.74 | KMO (0.47) | AGTR2 | |
| SCHEMBL27867498 | 0.72 | AGTR2 (0.51) | AGTR2MMP3MMP8OPRM1OPRD1 |
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 |