Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | BAX | Q07812 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL17655054 | 1.00 | LTA4H (0.39) | LTA4HTSHRCA5ACA5BCA4 | |
| SCHEMBL9972334 | 0.90 | LTA4H (0.43) | LTA4HTSHRCA5ACA5BCA4 | |
| SCHEMBL13418639 | 0.87 | MMP3 (0.39) | TAAR1ALDH1A1CA1CA2LMNA | |
| SCHEMBL5492420 | 0.84 | LTA4H (0.53) | LTA4HTSHRCA5ACA5BCA4 | |
| SCHEMBL7131367 | 0.82 | LTA4H (0.41) | LTA4HTSHRCA5ACA5BCA4 | |
| SCHEMBL442148 | 0.78 | — | — | |
| SCHEMBL158272 | 0.78 | LTA4H (0.53) | LTA4HTSHRCA5ACA5BCA4 | |
| SCHEMBL9942628 | 0.76 | MAOB (0.37) | LTA4HCA1CA2LMNACYP2C19 | |
| Water SCHEMBL27482527 | 0.75 | LTA4H (0.50) | LTA4HTSHRCA5ACA5BCA4 | |
| SCHEMBL29017381 | 0.75 | LTA4H (0.50) | LTA4HTSHRCA5ACA5BCA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1954698-B1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO INC (US) | 2009-06-24 | — | — | EP | disclosed |