Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 7/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29749147 | 0.85 | RET (0.53) | ACACBRETOPRK1AKR1C3CPB2 | |
| SCHEMBL26918920 | 0.84 | ACACB (0.43) | ACACBRETOPRK1PPARGPPARD | |
| SCHEMBL26918962 | 0.84 | ACACB (0.43) | ACACBRETOPRK1PPARGPPARD | |
| SCHEMBL29782960 | 0.81 | ACACB (0.40) | ACACBRETHDAC1 | |
| SCHEMBL28709581 | 0.78 | RET (0.55) | RETOPRK1OPRM1OPRD1 | |
| SCHEMBL387853 | 0.76 | HRH4 (0.43) | ACACBOPRK1AKR1C3PANK3OPRM1 | |
| SCHEMBL387852 | 0.76 | HRH4 (0.43) | ACACBOPRK1AKR1C3PANK3OPRM1 | |
| SCHEMBL31274442 | 0.75 | PDE10A (0.50) | ACACBAKR1C3HDAC1 | |
| SCHEMBL22795888 | 0.75 | PDE10A (0.50) | ACACBAKR1C3HDAC1 | |
| SCHEMBL928501 | 0.75 | PDE10A (0.50) | ACACBAKR1C3HDAC1 |
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-2022166642-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF | 北京志健金瑞生物医药科技有限公司 | 2022-08-11 | — | — | WO | disclosed |