Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HCN4 | Q9Y3Q4 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9741326 | 0.99 | GAA (0.44) | GAAHCN4MAPTCYP3A4ALOX15 | |
| SCHEMBL9739160 | 0.89 | ABCB1 (0.48) | GAAHCN4MAPTCYP3A4ALOX15 | |
| SCHEMBL9740231 | 0.88 | HCN4 (0.46) | GAAHCN4MAPTCYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL10373079 | 0.88 | ABCB1 (0.47) | GAAHCN4MAPTCYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL9740866 | 0.88 | CYP3A4 (0.47) | GAAHCN4MAPTCYP3A4ALOX15 | |
| SCHEMBL9742193 | 0.87 | HCN4 (0.52) | GAAHCN4MAPTCYP3A4ALOX15 | |
| SCHEMBL9740124 | 0.87 | HCN4 (0.51) | GAAHCN4MAPTCYP3A4ALOX15 | |
| Cilobradine SCHEMBL30169956 | 0.86 | HCN4 (0.57) | GAAHCN4MAPTCYP3A4ALOX15 | |
| SCHEMBL9740561 | 0.86 | CHRNB2 (0.49) | GAAHCN4MAPTCYP3A4ALOX15 | |
| Cilobradine SCHEMBL628133 | 0.86 | HCN4 (0.57) | GAAHCN4MAPTCYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |
| EP-0224794-B1 | CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION | Dr. Karl Thomae GmbH (DE) | 1990-09-12 | — | — | EP | disclosed |