Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2530893 | 0.94 | CA1 (0.41) | CA1ALDH1A1CA2ATMNAAA | |
| SCHEMBL2525615 | 0.93 | NAAA (0.44) | CA1ALDH1A1CA2NAAATSHR | |
| SCHEMBL2523649 | 0.93 | NAAA (0.44) | CA1ALDH1A1CA2NAAATSHR | |
| SCHEMBL2528930 | 0.90 | CA1 (0.44) | CA1ALDH1A1CA2ATMNAAA | |
| SCHEMBL2533767 | 0.90 | ALDH1A1 (0.39) | CA1ALDH1A1CA2ATMNAAA | |
| SCHEMBL18859460 | 0.90 | ALDH1A1 (0.52) | CA1ALDH1A1CA2ATMNAAA | |
| SCHEMBL5458029 | 0.90 | ALDH1A1 (0.52) | CA1ALDH1A1CA2ATMNAAA | |
| SCHEMBL7222715 | 0.88 | CA1 (0.50) | CA1ALDH1A1CA2ATMNAAA | |
| SCHEMBL21312412 | 0.88 | CA1 (0.48) | CA1ALDH1A1CA2ATMNAAA | |
| SCHEMBL7223421 | 0.86 | NAAA (0.53) | CA1ALDH1A1NAAATSHREPHX1 |
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 |