Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10804503 | 0.93 | ABCB1 (0.40) | EGFRABCB1ABCG2KDM4EALDH1A1 | |
| SCHEMBL10854756 | 0.93 | ABCB1 (0.40) | ABCB1ABCG2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL10816796 | 0.90 | ABCB1 (0.39) | EGFRABCB1ABCG2KDM4EALDH1A1 | |
| SCHEMBL10851137 | 0.90 | HTR5A (0.40) | EGFRABCB1ABCG2KDM4EALDH1A1 | |
| SCHEMBL10808165 | 0.89 | TP53 (0.39) | ABCB1ABCG2KDM4ESLC6A4MTNR1B | |
| SCHEMBL10804195 | 0.87 | ABCB1 (0.38) | ABCB1ABCG2KDM4ESLC6A4MTNR1B | |
| SCHEMBL10859924 | 0.87 | ABCB1 (0.38) | ABCB1ABCG2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL11112201 | 0.87 | HTR5A (0.39) | EGFRABCB1ABCG2KDM4ESLC6A4 | |
| SCHEMBL10857236 | 0.86 | ABCB1 (0.38) | ABCB1ABCG2KDM4EALDH1A1SLC6A4 | |
| SCHEMBL11105995 | 0.86 | TP53 (0.39) | ABCB1ABCG2KDM4ESLC6A4MTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| 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 |