Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2527248 | 0.94 | SMN1; SMN2 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL2528159 | 0.92 | KDM4E (0.44) | CES2ALDH1A1 | |
| SCHEMBL2530049 | 0.92 | KDM4E (0.44) | CES2ALDH1A1 | |
| SCHEMBL2530546 | 0.89 | CA1 (0.45) | CA1CES2LTA4HALDH1A1 | |
| SCHEMBL15342883 | 0.89 | CES2 (0.46) | CA1CES2LTA4HALDH1A1 | |
| SCHEMBL434439 | 0.86 | CES2 (0.46) | CA1CES2ALDH1A1 | |
| SCHEMBL22115919 | 0.86 | CES2 (0.46) | CA1CES2ALDH1A1 | |
| SCHEMBL22115920 | 0.86 | CES2 (0.46) | CA1CES2ALDH1A1 | |
| SCHEMBL2529707 | 0.86 | TSHR (0.39) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3414312 | 0.84 | CES2 (0.54) | CA1CES2 |
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 |