Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7677415 | 0.90 | HDAC1 (0.49) | HDAC1HDAC8CYP1A2CYP2D6SLC6A2 | |
| SCHEMBL28830520 | 0.81 | UGT2B7 (0.46) | HDAC1HDAC8CYP1A2CYP2D6SLC6A2 | |
| SCHEMBL28830517 | 0.81 | UGT2B7 (0.46) | HDAC1HDAC8CYP1A2CYP2D6SLC6A2 | |
| SCHEMBL7820511 | 0.78 | HDAC1 (0.51) | HDAC1HDAC8CYP1A2EPHX1TBXAS1 | |
| SCHEMBL27587296 | 0.78 | HDAC1 (0.50) | HDAC1HDAC8CYP1A2EPHX1TBXAS1 | |
| SCHEMBL9873911 | 0.77 | UGT2B7 (0.55) | CYP1A2CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14360161 | 0.76 | TBXAS1 (0.55) | HDAC1HDAC8CYP1A2TBXAS1ALDH1A1 | |
| SCHEMBL3146207 | 0.75 | TBXAS1 (0.58) | HDAC1HDAC8CYP1A2TBXAS1ALDH1A1 | |
| SCHEMBL657936 | 0.74 | GABBR2 (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL14360766 | 0.74 | HDAC3 (0.54) | HDAC1HDAC8CYP1A2TBXAS1ALDH1A1 |
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-1280764-B1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC (CA) | 2010-11-24 | — | — | EP | disclosed |