Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.35 |
| ▸ | DRD3 | P35462 | 5/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL19944817 | 0.70 | DRD3 (0.42) | DRD2DRD3DRD4HTR1A | |
| SCHEMBL2908570 | 0.69 | CES2 (0.36) | CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL5888258 | 0.67 | — | — | |
| SCHEMBL16119131 | 0.66 | — | — | |
| SCHEMBL9062785 | 0.66 | — | — | |
| SCHEMBL1532221 | 0.64 | DRD3 (0.36) | DRD3CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL1071437 | 0.60 | CNR1 (0.39) | DRD3CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL27480307 | 0.59 | EPHX2 (0.32) | — | |
| SCHEMBL7962273 | 0.58 | — | — | |
| SCHEMBL19433041 | 0.57 | CES2 (0.34) | CES2ALOX15CYP1B1ALDH1A1 |
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 |