Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 14/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 11/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30327803 | 0.78 | HCRTR2 (0.38) | HCRTR2HCRTR1 | |
| SCHEMBL30328635 | 0.78 | HDAC1 (0.44) | HCRTR2VNN1 | |
| Hydrochloric Acid SCHEMBL30328583 | 0.76 | TSHR (0.39) | CYP3A4CYP2D6VNN1OPRM1 | |
| SCHEMBL3729287 | 0.75 | ALDH1A1 (0.55) | HCRTR2HCRTR1HDAC11CYP3A4 | |
| SCHEMBL12447928 | 0.75 | HSD11B1 (0.44) | HCRTR2HCRTR1HDAC11 | |
| SCHEMBL3723506 | 0.74 | KMT2A (0.55) | HCRTR2HCRTR1CYP2D6OPRM1 | |
| Hydrochloric Acid SCHEMBL2334727 | 0.74 | HSD11B1 (0.43) | HCRTR2HCRTR1HDAC11 | |
| Hydrochloric Acid SCHEMBL2839965 | 0.74 | ALDH1A1 (0.54) | HCRTR2HCRTR1HDAC11CYP3A4 | |
| Hydrochloric Acid SCHEMBL2330803 | 0.73 | KMT2A (0.54) | HCRTR2HCRTR1CYP2D6OPRM1 | |
| SCHEMBL25163500 | 0.73 | HCRTR2 (0.48) | HCRTR2HCRTR1 |
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 |