Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL10815996 | 0.96 | ABCB1 (0.39) | ABCB1ABCG2SLC6A4BCHEKDM4E | |
| SCHEMBL10854756 | 0.91 | ABCB1 (0.40) | ABCB1ABCG2SLC6A4BCHEKDM4E | |
| SCHEMBL10857924 | 0.90 | TP53 (0.38) | ABCB1ABCG2SLC6A4KDM4EALDH1A1 | |
| SCHEMBL10804503 | 0.87 | ABCB1 (0.40) | ABCB1ABCG2SLC6A4BCHEKDM4E | |
| SCHEMBL10816796 | 0.84 | ABCB1 (0.39) | ABCB1ABCG2SLC6A4BCHEKDM4E | |
| SCHEMBL11113912 | 0.84 | EGFR (0.41) | ABCB1ABCG2SLC6A4KDM4EALDH1A1 | |
| SCHEMBL10818546 | 0.82 | ABCB1 (0.38) | ABCB1ABCG2SLC6A4KDM4EALDH1A1 | |
| SCHEMBL10851137 | 0.80 | HTR5A (0.40) | ABCB1ABCG2SLC6A4KDM4EALDH1A1 | |
| SCHEMBL10808165 | 0.80 | TP53 (0.39) | ABCB1ABCG2SLC6A4KDM4ETP53 | |
| SCHEMBL10818646 | 0.78 | KDM4E (0.52) | ABCB1ABCG2KDM4ETP53MEN1 |
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-0101574-B1 | 2-SUBSTITUTED 1-AMINOALKYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLINES, THEIR PREPARATION AND USE AS MEDICAMENTS | BASF Aktiengesellschaft (DE) | 1987-02-04 | — | — | EP | disclosed |
| 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 |