Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 6/20 | 0.40 |
| ▸ | CA1 | P00915 | 6/20 | 0.40 |
| ▸ | CA2 | P00918 | 6/20 | 0.40 |
| ▸ | CA7 | P43166 | 6/20 | 0.40 |
| ▸ | CA9 | Q16790 | 6/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5972221 | 0.86 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL44118 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL27732707 | 0.78 | HDAC4 (0.42) | HDAC4HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL4846219 | 0.76 | HDAC4 (0.41) | HDAC4HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL818926 | 0.76 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| Water SCHEMBL28045945 | 0.76 | HDAC4 (0.53) | HDAC4HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL8679124 | 0.75 | HDAC4 (0.41) | HDAC4HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL16850492 | 0.74 | HDAC2 (0.62) | HDAC4HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL340678 | 0.74 | HDAC4 (0.47) | HDAC4HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL5433945 | 0.74 | TSHR (0.40) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015131100-A1 | LIGAND-CONTROLLED C(SP3)-H ARYLATION AND OLEFINATION IN SYNTHESIS OF UNNATURAL CHIRAL ALPHA AMINO ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2015-09-03 | — | — | WO | disclosed |