Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 9/20 | 0.51 |
| ▸ | DRD3 | P35462 | 8/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | HTR1D | P28221 | 2/20 | 0.48 |
| ▸ | HTR1B | P28222 | 2/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | PYGL | P06737 | 1/20 | 0.43 |
| ▸ | PYGM | P11217 | 1/20 | 0.43 |
| ▸ | RET | P07949 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 2/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.41 |
| ▸ | KDM4D | Q6B0I6 | 2/20 | 0.40 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30180476 | 1.00 | DRD2 (0.51) | DRD2DRD3CYP2D6HTR1DHTR1B | |
| SCHEMBL28578333 | 1.00 | DRD2 (0.51) | DRD2DRD3CYP2D6HTR1DHTR1B | |
| SCHEMBL8713035 | 0.87 | DRD2 (0.49) | DRD2DRD3CYP2D6HTR1DHTR1B | |
| SCHEMBL8903628 | 0.87 | DRD2 (0.49) | DRD2DRD3CYP2D6HTR1DHTR1B | |
| SCHEMBL21822133 | 0.85 | DRD2 (0.53) | DRD2DRD3CYP2D6HTR1DHTR1B | |
| SCHEMBL15506758 | 0.82 | NPC1 (0.56) | DRD2DRD3CYP2D6HTR1DHTR1B | |
| SCHEMBL28588273 | 0.82 | PIN1 (0.51) | DRD2USP30SMYD3PARP1 | |
| SCHEMBL30180732 | 0.82 | PIN1 (0.51) | DRD2USP30SMYD3PARP1 | |
| SCHEMBL28588272 | 0.82 | PIN1 (0.51) | DRD2USP30SMYD3PARP1 | |
| SCHEMBL25016345 | 0.80 | RET (0.41) | DRD4RETKDRSMYD3MLLT1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112996529-A | Matriptase 2 inhibitor and application thereof | 迪斯克医药公司 | 2021-06-18 | — | — | CN | disclosed |