Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HCN4 | Q9Y3Q4 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 SCHEMBL9740153 | 0.99 | ABCB1 (0.45) | ABCB1HRH3GAASMN1; SMN2HCN4 | |
| SCHEMBL9740238 | 0.95 | ABCB1 (0.42) | ABCB1HRH3GAASMN1; SMN2HCN4 | |
| Hydrochloric Acid SCHEMBL9740197 | 0.94 | CYP3A4 (0.42) | ABCB1HRH3GAASMN1; SMN2HCN4 | |
| SCHEMBL9739319 | 0.93 | SMN1; SMN2 (0.42) | ABCB1HRH3GAASMN1; SMN2HCN4 | |
| SCHEMBL9739180 | 0.92 | SMN1; SMN2 (0.43) | ABCB1GAASMN1; SMN2HCN4MAPT | |
| Hydrochloric Acid SCHEMBL9739564 | 0.92 | CYP3A4 (0.41) | ABCB1HRH3GAASMN1; SMN2HCN4 | |
| SCHEMBL9740219 | 0.92 | HCN4 (0.49) | GAASMN1; SMN2HCN4MAPTCYP3A4 | |
| SCHEMBL9739355 | 0.92 | SMN1; SMN2 (0.42) | GAASMN1; SMN2ALDH1A1 | |
| SCHEMBL9740525 | 0.91 | HCN4 (0.49) | GAASMN1; SMN2HCN4MAPTCYP3A4 | |
| SCHEMBL9740167 | 0.91 | MTNR1B (0.43) | GAASMN1; SMN2ALDH1A1 |
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-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 |
| EP-0224794-A2 | Cyclic amine derivatives, medicines containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1987-06-10 | — | — | EP | disclosed |