Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HTR5A | P47898 | 2/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10858313 | 0.90 | ABCB1 (0.38) | ABCB1ABCG2SLC6A4MTNR1BHDAC6 | |
| SCHEMBL10803982 | 0.89 | ABCB1 (0.36) | ABCB1ABCG2SLC6A4MTNR1BHDAC6 | |
| SCHEMBL10855863 | 0.88 | ABCB1 (0.37) | ABCB1ABCG2SLC6A4MTNR1BHDAC6 | |
| SCHEMBL10858541 | 0.87 | SLC6A4 (0.35) | ABCB1ABCG2SLC6A4HDAC6HDAC1 | |
| SCHEMBL10854607 | 0.87 | ABCB1 (0.39) | ABCB1ABCG2SLC6A4MTNR1BHDAC6 | |
| SCHEMBL10853849 | 0.86 | ABCB1 (0.38) | ABCB1ABCG2SLC6A4MTNR1BHDAC6 | |
| SCHEMBL10803889 | 0.86 | SLC6A4 (0.40) | ABCB1ABCG2SLC6A4MTNR1BHDAC6 | |
| SCHEMBL11112920 | 0.84 | ABCB1 (0.40) | ABCB1ABCG2SLC6A4HDAC6HDAC1 | |
| SCHEMBL10855511 | 0.84 | ABCB1 (0.35) | ABCB1ABCG2SLC6A4MTNR1BHDAC6 | |
| SCHEMBL10855860 | 0.83 | ABCB1 (0.36) | ABCB1ABCG2SLC6A4MTNR1BHDAC6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4575508-A | 2-Substituted 1-(3'-aminoalkyl)-1,2,3,4-tetrahydro-β-carbolines, and their use as antiarrhythmic agents | BASF AKTIENGESELLSCHAFT (DE) | 1986-03-11 | — | — | US | disclosed |