Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30328634 | 0.83 | HDAC1 (0.40) | HDAC1HDAC8HDAC6TACR1OPRD1 | |
| SCHEMBL30328215 | 0.82 | SYK (0.40) | HDAC1HDAC8HDAC6TACR1OPRD1 | |
| SCHEMBL2335973 | 0.81 | HDAC1 (0.53) | HDAC1HDAC8HDAC6OPRD1OPRK1 | |
| SCHEMBL17608805 | 0.80 | HDAC1 (0.55) | HDAC1HDAC8HDAC6TACR1OPRD1 | |
| SCHEMBL30327771 | 0.78 | HCRTR2 (0.41) | VNN1HCRTR2 | |
| SCHEMBL2338748 | 0.78 | HDAC1 (0.50) | HDAC1HDAC8HDAC6OPRD1OPRK1 | |
| SCHEMBL2339311 | 0.76 | GPR119 (0.52) | HDAC1HDAC8HDAC6GPR119 | |
| SCHEMBL21764937 | 0.76 | CYP3A4 (0.52) | HDAC1HDAC8HDAC6OPRD1OPRK1 | |
| SCHEMBL22719280 | 0.76 | TACR1 (0.41) | TACR1OPRD1OPRK1GPR119JAK2 | |
| SCHEMBL31008097 | 0.76 | USP30 (0.43) | HDAC1HDAC8HDAC6HRH3USP30 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4415706-A1 | SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF | Vanqua Bio, Inc. (US) | 2024-08-21 | — | — | EP | disclosed |
| WO-2023064343-A1 | SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF | VANQUA BIO, INC. (US) | 2023-04-20 | — | — | WO | disclosed |