Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 8/20 | 0.47 |
| ▸ | DRD3 | P35462 | 8/20 | 0.47 |
| ▸ | ABCC9 | O60706 | 3/20 | 0.43 |
| ▸ | ABCC8 | Q09428 | 3/20 | 0.43 |
| ▸ | KCNJ11 | Q14654 | 3/20 | 0.43 |
| ▸ | KCNJ8 | Q15842 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16431937 | 0.71 | DRD2 (0.56) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL17696870 | 0.69 | DRD2 (0.53) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL10163875 | 0.69 | ABCC9 (0.49) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL1097348 | 0.69 | DRD2 (0.43) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL14869628 | 0.68 | DRD2 (0.76) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL469719 | 0.68 | DRD2 (0.60) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL22456247 | 0.68 | DRD2 (0.60) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL22225174 | 0.68 | DRD2 (0.49) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| SCHEMBL28070344 | 0.68 | DRD2 (0.49) | DRD2DRD3ABCC9ABCC8KCNJ11 | |
| Hydrochloric Acid SCHEMBL31210148 | 0.67 | DRD2 (0.73) | DRD2DRD3ABCC9ABCC8KCNJ11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0052442-B1 | HETEROCYCLIC COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-09-11 | — | — | EP | disclosed |