Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.44 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
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 SCHEMBL9740859 | 0.99 | ABCG2 (0.50) | ABCG2ABCB1MAPTHCN4KCNJ1 | |
| SCHEMBL9739968 | 0.97 | ABCB1 (0.50) | ABCG2ABCB1MAPTHCN4KCNJ1 | |
| SCHEMBL9740877 | 0.95 | ABCB1 (0.52) | ABCG2ABCB1MAPTHCN4KCNJ1 | |
| SCHEMBL10720389 | 0.93 | ABCB1 (0.45) | ABCG2ABCB1MAPTHCN4KCNJ1 | |
| SCHEMBL9739498 | 0.89 | ABCB1 (0.51) | ABCB1MAPTHCN4HRH3CYP3A4 | |
| SCHEMBL9741202 | 0.89 | HCN4 (0.47) | ABCG2ABCB1MAPTHCN4KCNH2 | |
| Hydrochloric Acid SCHEMBL9739563 | 0.88 | GAA (0.51) | ABCB1MAPTHCN4HRH3CYP3A4 | |
| Hydrochloric Acid SCHEMBL9740411 | 0.88 | CYP3A4 (0.48) | ABCG2ABCB1MAPTHCN4KCNH2 | |
| SCHEMBL9739160 | 0.88 | ABCB1 (0.48) | ABCG2ABCB1MAPTHCN4KCNH2 | |
| Cilobradine SCHEMBL628133 | 0.88 | HCN4 (0.57) | MAPTHCN4KCNH2CYP3A4ALOX15 |
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 |