Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL2527737 | 0.84 | PLA2G4A (0.31) | — | |
| SCHEMBL2528976 | 0.82 | MAPT (0.32) | — | |
| SCHEMBL2529084 | 0.80 | KMT2A (0.35) | TSHR | |
| SCHEMBL2526449 | 0.80 | KMT2A (0.35) | TSHR | |
| SCHEMBL818454 | 0.78 | HMGCR (0.40) | HMGCRCHRM1TBXA2RADRA1ACYP2D6 | |
| SCHEMBL2529497 | 0.78 | HMGCR (0.32) | HMGCRCHRM1TBXA2RADRA1ACYP2D6 | |
| SCHEMBL12384259 | 0.78 | FFAR1 (0.32) | HMGCRCHRM1TBXA2RADRA1ACYP2D6 | |
| SCHEMBL269663 | 0.78 | CES2 (0.43) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL2530654 | 0.77 | — | — | |
| SCHEMBL16724991 | 0.76 | ALDH1A1 (0.53) | HMGCRCHRM1TBXA2RADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| US-8461135-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | claimed |
| US-8039450-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | claimed |