Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 12/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.54 |
| ▸ | DHCR7 | Q9UBM7 | 2/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9624421 | 0.96 | ABCB1 (0.54) | ABCB1ABCG2DHCR7TMEM97SIGMAR1 | |
| SCHEMBL9624273 | 0.89 | SIGMAR1 (0.42) | ABCB1ABCG2SIGMAR1 | |
| SCHEMBL9624542 | 0.89 | SMPD1 (0.46) | ABCB1ABCG2SIGMAR1HCRTR2 | |
| SCHEMBL9624683 | 0.88 | ABCB1 (0.55) | ABCB1ABCG2DHCR7 | |
| SCHEMBL9623814 | 0.85 | SIGMAR1 (0.41) | ABCB1ABCG2SIGMAR1 | |
| SCHEMBL9624715 | 0.85 | SIGMAR1 (0.45) | ABCB1ABCG2SIGMAR1 | |
| SCHEMBL9625255 | 0.81 | SIGMAR1 (0.45) | ABCB1ABCG2SIGMAR1 | |
| SCHEMBL9625044 | 0.81 | HCN4 (0.52) | ABCB1 | |
| SCHEMBL10521178 | 0.81 | ABCB1 (0.55) | ABCB1ABCG2DHCR7SIGMAR1 | |
| SCHEMBL9624549 | 0.81 | CHRNA7 (0.46) | — |
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 |