Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | F13A1 | P00488 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Glycine SCHEMBL6884148 | 0.94 | HDAC3 (0.36) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 | |
| SCHEMBL11254152 | 0.89 | KEAP1 (0.36) | F13A1CYP1A2PTGS1PTGS2HSD17B10 | |
| SCHEMBL27569673 | 0.78 | HDAC3 (0.37) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 | |
| SCHEMBL15389491 | 0.74 | HDAC3 (0.39) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 | |
| SCHEMBL8242961 | 0.73 | HDAC1 (0.41) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 | |
| SCHEMBL9719969 | 0.67 | DAO (0.33) | — | |
| SCHEMBL7283235 | 0.67 | KEAP1 (0.33) | FFAR1 | |
| SCHEMBL6009735 | 0.67 | USP2 (0.42) | PTGS1PTGS2HSD17B10LMNAMAPT | |
| SCHEMBL30955718 | 0.64 | HDAC3 (0.40) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 | |
| SCHEMBL6751710 | 0.63 | F13A1 (0.53) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-2004087933-A2 | A NOVEL ENCODING METHOD FOR 'ONE-BEAD ONE-COMPOUND' COMBINATORIAL LIBRARIES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2004-10-14 | — | — | WO | disclosed |