Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 4/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9624988 | 0.90 | MAPT (0.42) | MAPTHCN4CYP3A4ALOX15CNR2 | |
| SCHEMBL9624455 | 0.89 | MAPT (0.39) | MAPTHCN4CYP3A4ALOX15NPC1 | |
| SCHEMBL9624225 | 0.84 | HCN4 (0.44) | MAPTHCN4CYP3A4ALOX15CNR2 | |
| SCHEMBL9624107 | 0.84 | MAPT (0.42) | MAPTHCN4CYP3A4ALOX15CNR2 | |
| SCHEMBL9624855 | 0.82 | HCN4 (0.44) | MAPTHCN4CYP3A4ALOX15CNR2 | |
| SCHEMBL9624754 | 0.82 | HTR1A (0.47) | MAPTHCN4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10667460 | 0.82 | MAPT (0.62) | MAPTHCN4CYP3A4ALOX15NPC1 | |
| SCHEMBL9624396 | 0.82 | MAPT (0.42) | MAPTHCN4CYP3A4ALOX15NPC1 | |
| Hydrochloric Acid SCHEMBL10665260 | 0.81 | CYP3A4 (0.63) | MAPTHCN4CYP3A4ALOX15NPC1 | |
| SCHEMBL9624011 | 0.80 | HCN4 (0.46) | MAPTHCN4CYP3A4ALOX15CNR2 |
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 |