Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11112919 | 0.91 | ABCB1 (0.36) | ABCB1ABCG2SLC6A4KDM4EMTNR1B | |
| SCHEMBL10854756 | 0.91 | ABCB1 (0.40) | ABCB1ABCG2SLC6A4KDM4EALDH1A1 | |
| SCHEMBL10804195 | 0.89 | ABCB1 (0.38) | ABCB1ABCG2SLC6A4KDM4EMTNR1B | |
| Hydrochloric Acid SCHEMBL10851788 | 0.88 | ABCB1 (0.37) | ABCB1ABCG2SLC6A4KDM4EMTNR1B | |
| SCHEMBL10804503 | 0.87 | ABCB1 (0.40) | ABCB1ABCG2SLC6A4KDM4EALDH1A1 | |
| SCHEMBL10857236 | 0.86 | ABCB1 (0.38) | ABCB1ABCG2SLC6A4KDM4EALDH1A1 | |
| SCHEMBL11113912 | 0.85 | EGFR (0.41) | ABCB1ABCG2SLC6A4KDM4EALDH1A1 | |
| SCHEMBL10851137 | 0.85 | HTR5A (0.40) | ABCB1ABCG2SLC6A4KDM4EALDH1A1 | |
| SCHEMBL10808165 | 0.85 | TP53 (0.39) | ABCB1ABCG2SLC6A4KDM4EMTNR1B | |
| SCHEMBL10859924 | 0.85 | ABCB1 (0.38) | ABCB1ABCG2SLC6A4KDM4EALDH1A1 |
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-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 |