Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 2/20 | 0.54 |
| ▸ | HTR1A | P08908 | 4/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30064389 | 0.88 | PARP1 (0.54) | SCDHTR1AHTR2ADRD3PARP1 | |
| SCHEMBL30065247 | 0.84 | SCD (0.49) | SCDPRKAA2PARP1HDAC3HDAC2 | |
| SCHEMBL25738492 | 0.83 | HDAC2 (0.52) | SCDPRKAA2PARP1HDAC3HDAC2 | |
| SCHEMBL30064355 | 0.83 | PARP1 (0.55) | SCDPARP1HDAC3HDAC2 | |
| SCHEMBL26613680 | 0.83 | PARP1 (0.49) | PARP1HDAC3HDAC2 | |
| SCHEMBL30604696 | 0.83 | SMN1; SMN2 (0.60) | SCD | |
| SCHEMBL29085208 | 0.83 | SMN1; SMN2 (0.60) | SCD | |
| SCHEMBL30230133 | 0.81 | AKR1C3 (0.46) | SCDHDAC3HDAC2AKR1C3 | |
| SCHEMBL25246829 | 0.77 | HRH3 (0.57) | HDAC3HDAC2AKR1C3 | |
| SCHEMBL30064980 | 0.77 | PARP1 (0.54) | PRKAA2PARP1AKR1C3 |
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-2022222964-A1 | PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE | 成都百裕制药股份有限公司 | 2022-10-27 | — | — | WO | disclosed |