Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HTR5A | P47898 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10854607 | 0.87 | ABCB1 (0.39) | ABCB1ABCG2SLC6A4HTR5ACYP1A2 | |
| SCHEMBL10851137 | 0.87 | HTR5A (0.40) | ABCB1ABCG2SLC6A4HTR5ACYP1A2 | |
| SCHEMBL10854543 | 0.86 | HTR7 (0.44) | ABCB1ABCG2HTR5AKDM4EALDH1A1 | |
| SCHEMBL11112201 | 0.86 | HTR5A (0.39) | ABCB1ABCG2SLC6A4HTR5ACYP1A2 | |
| SCHEMBL11113912 | 0.85 | EGFR (0.41) | ABCB1ABCG2SLC6A4HTR5AMTNR1B | |
| SCHEMBL10853849 | 0.84 | ABCB1 (0.38) | ABCB1ABCG2SLC6A4HTR5ACYP1A2 | |
| SCHEMBL11112920 | 0.84 | ABCB1 (0.40) | ABCB1ABCG2SLC6A4HTR5AHDAC6 | |
| SCHEMBL10804503 | 0.84 | ABCB1 (0.40) | ABCB1ABCG2SLC6A4HTR5AMTNR1B | |
| SCHEMBL10804195 | 0.84 | ABCB1 (0.38) | ABCB1ABCG2SLC6A4HTR5ACYP1A2 | |
| SCHEMBL10854756 | 0.84 | ABCB1 (0.40) | ABCB1ABCG2SLC6A4MTNR1BKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0101574-A1 | 2-Substituted 1-aminoalkyl-1,2,3,4-tetrahydro-beta-carbolines, their preparation and use as medicaments | BASF Aktiengesellschaft (DE) | 1984-02-29 | — | — | EP | disclosed |