Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 13/20 | 1.00 |
| ▸ | DRD2 | P14416 | 11/20 | 1.00 |
| ▸ | DRD3 | P35462 | 10/20 | 1.00 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.68 |
| ▸ | NAMPT | P43490 | 1/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8121641 | 0.92 | DRD4 (0.85) | DRD4DRD2DRD3SIGMAR1KCNH2 | |
| SCHEMBL8482386 | 0.91 | DRD4 (0.84) | DRD4DRD2DRD3SIGMAR1KCNH2 | |
| Hydrochloric Acid SCHEMBL8484909 | 0.90 | DRD4 (0.82) | DRD4DRD2DRD3SIGMAR1KCNH2 | |
| SCHEMBL8485349 | 0.88 | DRD4 (0.78) | DRD4DRD2DRD3SIGMAR1KCNH2 | |
| Hydrochloric Acid SCHEMBL8484199 | 0.87 | DRD4 (0.77) | DRD4DRD2DRD3SIGMAR1KCNH2 | |
| SCHEMBL8482381 | 0.84 | DRD4 (0.72) | DRD4DRD2DRD3SIGMAR1KCNH2 | |
| Hydrochloric Acid SCHEMBL8484196 | 0.83 | DRD4 (0.70) | DRD4DRD2DRD3SIGMAR1KCNH2 | |
| SCHEMBL3699834 | 0.80 | NAMPT (1.00) | DRD4DRD2DRD3SIGMAR1KCNH2 | |
| Hydrochloric Acid SCHEMBL8484351 | 0.78 | DRD4 (0.64) | DRD4DRD2DRD3SIGMAR1KCNH2 | |
| SCHEMBL3120101 | 0.77 | DRD2 (0.62) | DRD4DRD2DRD3SIGMAR1KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996021660-A1 | FIVE-MEMBERED HETEROAROMATIC COMPOUNDS AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1996-07-18 | — | — | WO | claimed |
| US-5939436-A | Five-membered heteroaromatic compounds as dopamine receptor subtype ligands | MERCK SHARP & DOHME LTD. (GB) | 1999-08-17 | — | — | US | disclosed |