Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 7/20 | 0.42 |
| ▸ | DRD2 | P14416 | 7/20 | 0.42 |
| ▸ | DRD4 | P21917 | 5/20 | 0.42 |
| ▸ | HTR5A | P47898 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19944590 | 0.79 | HTR1A (0.39) | HTR1AMEN1KMT2A | |
| SCHEMBL5887954 | 0.73 | CHRM3 (0.35) | DRD3DRD2DRD4HTR5ACHRM3 | |
| SCHEMBL13677468 | 0.71 | CHRM3 (0.38) | CHRM3 | |
| SCHEMBL4593737 | 0.71 | CHRM3 (0.38) | CHRM3 | |
| SCHEMBL6538254 | 0.71 | CHRM3 (0.38) | MEN1CYP1A2CYP2D6KMT2ACHRM3 | |
| SCHEMBL19944820 | 0.70 | DRD2 (0.35) | DRD3DRD2DRD4HTR1A | |
| SCHEMBL19944587 | 0.69 | CHRM3 (0.37) | CHRM3 | |
| SCHEMBL23622744 | 0.69 | OAT (0.36) | POLBMEN1CYP1A2CYP2D6KMT2A | |
| SCHEMBL23622730 | 0.69 | OAT (0.36) | POLBMEN1CYP1A2CYP2D6KMT2A | |
| SCHEMBL23622707 | 0.69 | OAT (0.36) | POLBMEN1CYP1A2CYP2D6KMT2A |
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-2018044136-A1 | NOVEL COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH POLY(ADP-RIBOSE) POLYMERASE-1 (PARP-1) | 충남대학교 산학협력단 | 2018-03-08 | — | — | WO | disclosed |