Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 5/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.32 |
| ▸ | OXTR | P30559 | 3/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25324783 | 1.00 | AVPR2 (0.33) | AVPR2GRM1OXTRCNR2ACACB | |
| SCHEMBL25324741 | 0.88 | GRM1 (0.39) | AVPR2GRM1OXTRACACB | |
| SCHEMBL30553166 | 0.86 | ADRA1A (0.34) | AVPR2GRM1OXTR | |
| SCHEMBL25327881 | 0.86 | ADRA1A (0.34) | AVPR2GRM1OXTR | |
| SCHEMBL30553268 | 0.85 | AVPR2 (0.34) | AVPR2GRM1OXTRACACB | |
| SCHEMBL25324449 | 0.85 | AVPR2 (0.34) | AVPR2GRM1OXTRACACB | |
| SCHEMBL30553302 | 0.84 | GRM1 (0.36) | AVPR2GRM1CNR2 | |
| SCHEMBL25325627 | 0.84 | GRM1 (0.36) | AVPR2GRM1CNR2 | |
| SCHEMBL25325686 | 0.83 | LCAT (0.37) | AVPR2GRM1OXTRCNR2ACACB | |
| SCHEMBL30553229 | 0.83 | LCAT (0.37) | AVPR2GRM1OXTRCNR2ACACB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4469446-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2024-12-04 | — | — | EP | claimed |
| WO-2023144160-A1 | NEW HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-03 | — | — | WO | claimed |
| EP-4469446-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2024-12-04 | — | — | EP | disclosed |
| WO-2023144160-A1 | NEW HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-03 | — | — | WO | disclosed |