Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | IL4I1 | Q96RQ9 | 4/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8873570 | 0.90 | KDR (0.45) | KDRPARP1IL4I1DRD2DRD4 | |
| SCHEMBL9396362 | 0.84 | HRH4 (0.51) | DRD2DRD4DRD3HRH4 | |
| SCHEMBL8875223 | 0.82 | PARP1 (0.58) | PARP1DRD2DRD4DRD3KDM4E | |
| SCHEMBL9392973 | 0.78 | HRH4 (0.49) | DRD2DRD4DRD3HRH4 | |
| SCHEMBL8874059 | 0.77 | DRD2 (0.49) | KDRPARP1IL4I1DRD2DRD4 | |
| SCHEMBL8875278 | 0.77 | DRD2 (0.49) | KDRPARP1IL4I1DRD2DRD4 | |
| Oxalic Acid SCHEMBL8683797 | 0.76 | HRH4 (0.45) | DRD2DRD4DRD3HRH4NPSR1 | |
| SCHEMBL8984029 | 0.75 | SIGMAR1 (0.50) | DRD2DRD4DRD3HTT | |
| SCHEMBL9091956 | 0.75 | BCHE (0.57) | DRD2DRD4DRD3KDM4EALDH1A1 | |
| SCHEMBL1813854 | 0.74 | KDR (0.60) | KDRPARP1DRD2DRD4DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5607946-A | Quinolone derivatives as dopamine D4 ligands | MERCK SHARP & DOHME LTD. (GB) | 1997-03-04 | — | — | US | disclosed |