Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9624753 | 0.96 | MAPT (0.45) | MAPTHCN4CYP3A4ALOX15KDM4E | |
| Hydrochloric Acid SCHEMBL9624866 | 0.95 | CYP3A4 (0.46) | MAPTHCN4CYP3A4ALOX15KDM4E | |
| SCHEMBL9623977 | 0.91 | MAOA (0.43) | MAPTHCN4CYP3A4ALOX15KDM4E | |
| SCHEMBL9625211 | 0.91 | HCN4 (0.57) | MAPTHCN4CYP3A4ALOX15KDM4E | |
| Hydrochloric Acid SCHEMBL9625013 | 0.90 | CYP3A4 (0.42) | MAPTHCN4CYP3A4ALOX15KDM4E | |
| SCHEMBL9624201 | 0.87 | CHRNA7 (0.42) | MAPTHCN4CYP3A4ALOX15KDM4E | |
| SCHEMBL9625044 | 0.87 | HCN4 (0.52) | MAPTHCN4CYP3A4ALOX15KDM4E | |
| Hydrochloric Acid SCHEMBL10646362 | 0.86 | CYP3A4 (0.53) | MAPTHCN4CYP3A4ALOX15KDM4E | |
| Hydrochloric Acid SCHEMBL9624432 | 0.85 | CYP3A4 (0.52) | MAPTHCN4CYP3A4ALOX15KDM4E | |
| Hydrochloric Acid SCHEMBL9624433 | 0.85 | CYP3A4 (0.52) | MAPTHCN4CYP3A4ALOX15KDM4E |
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 |