Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 14/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.53 |
| ▸ | DHCR7 | Q9UBM7 | 2/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9214620 | 0.99 | ABCB1 (0.52) | ABCB1ABCG2DHCR7HRH3 | |
| Hydrochloric Acid SCHEMBL9215875 | 0.93 | ABCB1 (0.54) | ABCB1ABCG2DHCR7 | |
| SCHEMBL9204667 | 0.92 | ABCB1 (0.48) | ABCB1ABCG2DHCR7 | |
| SCHEMBL9207036 | 0.89 | HRH3 (0.50) | ABCB1ABCG2HRH3 | |
| Hydrochloric Acid SCHEMBL9214060 | 0.87 | DHCR7 (0.48) | ABCB1ABCG2DHCR7HRH3 | |
| SCHEMBL9211025 | 0.87 | HRH3 (0.49) | ABCB1ABCG2HRH3 | |
| SCHEMBL9215240 | 0.86 | MEN1 (0.47) | ABCB1HRH3 | |
| Hydrochloric Acid SCHEMBL9205960 | 0.86 | DHCR7 (0.61) | ABCB1ABCG2DHCR7 | |
| SCHEMBL9211431 | 0.85 | HRH3 (0.47) | ABCB1ABCG2HRH3 | |
| Hydrochloric Acid SCHEMBL9740420 | 0.85 | CYP3A4 (0.47) | ABCB1ABCG2HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0292840-B1 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | THOMAE GMBH DR K (DE) | 1995-08-09 | — | — | EP | disclosed |
| EP-0292840-A2 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |