Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 2/20 | 0.46 |
| ▸ | CCND1 | P24385 | 2/20 | 0.46 |
| ▸ | HTR4 | Q13639 | 3/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.45 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9625229 | 0.99 | CDK4 (0.46) | CDK4CCND1HTR4PDE4DSMPD1 | |
| SCHEMBL9625061 | 0.96 | PDE4D (0.47) | CDK4CCND1HTR4PDE4DPDE4A | |
| Hydrochloric Acid SCHEMBL9625271 | 0.95 | PDE4D (0.46) | CDK4CCND1HTR4PDE4DPDE4A | |
| SCHEMBL9624081 | 0.91 | PDE4D (0.51) | CDK4CCND1HTR4PDE4DPDE4A | |
| Hydrochloric Acid SCHEMBL9624408 | 0.90 | PDE4D (0.51) | CDK4CCND1HTR4PDE4DPDE4A | |
| SCHEMBL9624897 | 0.89 | HTR1A (0.52) | HTR4MAPTHTR1AHTR2AHTR2C | |
| SCHEMBL9624327 | 0.89 | MAPT (0.46) | HTR4PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL9624469 | 0.89 | SLC6A4 (0.47) | HTR4PDE4DMAPTHTR1AHTR2A | |
| SCHEMBL9624887 | 0.88 | HTR6 (0.45) | HTR4SMPD1MAPTHTR2AHCN4 | |
| SCHEMBL9623773 | 0.88 | BCHE (0.46) | CDK4CCND1BCHEMAPTHTR1A |
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 |