Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9625705 | 0.88 | DRD2 (0.39) | DRD2DRD3KCNH2CYP2A6 | |
| SCHEMBL9624982 | 0.85 | MAPT (0.44) | DRD2DRD3KCNH2 | |
| SCHEMBL9624609 | 0.83 | ADAM17 (0.34) | DRD2DRD3 | |
| SCHEMBL9624619 | 0.83 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL9624906 | 0.83 | MAPT (0.32) | — | |
| SCHEMBL9625186 | 0.83 | SMPD1 (0.34) | — | |
| SCHEMBL9623908 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL9624076 | 0.81 | PRKCB (0.33) | DRD2DRD3KCNH2 | |
| SCHEMBL9624436 | 0.80 | PRKCB (0.33) | DRD2DRD3KCNH2RAD52 | |
| SCHEMBL9623969 | 0.79 | GNRHR (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5116986-A | HETEROAROMATIC AMINE DERIVATIVES | DR. KARL THOMAE GMBH (DE) | 1992-05-26 | — | — | US | disclosed |
| US-4912115-A | Cardiovascular disorders | DR. KARL THOMAE GMBH (DE) | 1990-03-27 | — | — | US | disclosed |
| EP-0269968-A2 | Heteroaromatic amine derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-06-08 | — | — | EP | disclosed |