Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.64 |
| ▸ | FABP4 | P15090 | 4/20 | 0.58 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.50 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.44 |
| ▸ | FABP3 | P05413 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14067859 | 0.89 | HDAC1 (0.52) | HDAC1HDAC6FABP4AKR1B10AKR1A1 | |
| SCHEMBL4127644 | 0.87 | HDAC1 (0.56) | HDAC1HDAC6FABP4PTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL7131399 | 0.84 | HDAC1 (0.54) | HDAC1HDAC6AKR1B10AKR1B1PTGS1 | |
| SCHEMBL8035118 | 0.82 | CYP3A4 (0.58) | HDAC1HDAC6AKR1B10AKR1A1AKR1B1 | |
| SCHEMBL8025072 | 0.81 | HDAC1 (0.69) | HDAC1HDAC6 | |
| SCHEMBL4892790 | 0.80 | HDAC1 (0.50) | HDAC1HDAC6PTGS1PTGS2 | |
| SCHEMBL7130580 | 0.79 | CYP3A4 (0.49) | HDAC1HDAC6PTGS1PTGS2 | |
| SCHEMBL4144359 | 0.79 | ADRA2A (0.69) | HDAC1HDAC6FABP4HDAC10HDAC8 | |
| SCHEMBL3715511 | 0.78 | HRH1 (0.53) | HDAC1HDAC6FABP4PTGS1PTGS2 | |
| SCHEMBL12951840 | 0.78 | HDAC6 (1.00) | HDAC1HDAC6HDAC10HDAC8 |
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-2236511-A2 | LIGANDS OF ALPHA-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF | Alla Chem, LLC. (US) | 2010-10-06 | — | — | EP | disclosed |