Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 3/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | PGK1 | P00558 | 1/20 | 0.30 |
| ▸ | PGK2 | P07205 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27983540 | 0.85 | IDO1 (0.42) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL23040177 | 0.81 | HDAC3 (0.38) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL15335209 | 0.81 | HDAC3 (0.41) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL14378840 | 0.80 | HDAC3 (0.40) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL14189703 | 0.79 | HDAC3 (0.45) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL17336911 | 0.77 | HDAC3 (0.40) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL22698990 | 0.76 | PTGS2 (0.56) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL14280518 | 0.76 | HDAC3 (0.44) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL13934589 | 0.74 | TAAR1 (0.50) | — | |
| SCHEMBL13754465 | 0.74 | MIF (0.47) | HDAC3HDAC1HDAC2HDAC8HDAC6 |
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-2017072020-A1 | HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-05-04 | — | — | WO | disclosed |