Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.30 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2527251 | 0.98 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL2533531 | 0.98 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL2527131 | 0.93 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL13879345 | 0.85 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL9817218 | 0.83 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL2532010 | 0.82 | — | — | |
| SCHEMBL29114066 | 0.81 | LMNA (0.52) | ALDH1A1TDP1MAPTKMT2A | |
| SCHEMBL2532461 | 0.81 | GPR84 (0.42) | ALDH1A1TDP1CYP2C19CA2ACHE | |
| SCHEMBL2092642 | 0.81 | KMT2A (0.52) | ALDH1A1TDP1MAPTKMT2A | |
| SCHEMBL12970907 | 0.79 | KMT2A (0.56) | ALDH1A1TDP1MAPTKMT2A |
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 |