Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | STAT3 | P40763 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10690521 | 0.90 | ADRA1D (0.49) | KDM4EADRA1DADRA1AADRA1BABCB1 | |
| SCHEMBL10686635 | 0.89 | ADRA1D (0.48) | KDM4EADRA1DADRA1AADRA1BABCB1 | |
| SCHEMBL10681418 | 0.81 | ADRA1D (0.49) | KDM4EADRA1DADRA1AADRA1BABCB1 | |
| SCHEMBL10690885 | 0.81 | LMNA (0.52) | KDM4EADRA1DADRA1AADRA1BABCB1 | |
| SCHEMBL10687983 | 0.80 | ADRA1D (0.47) | KDM4EADRA1DADRA1AADRA1BABCB1 | |
| SCHEMBL10688707 | 0.78 | ADRA1D (0.56) | KDM4EADRA1DADRA1AADRA1BABCB1 | |
| SCHEMBL10684919 | 0.77 | SLC6A4 (0.39) | KDM4EABCB1ABCG2LMNAMAPT | |
| SCHEMBL10686306 | 0.76 | ADRA1D (0.53) | ADRA1DADRA1AADRA1BABCB1ABCG2 | |
| SCHEMBL10690528 | 0.74 | SIGMAR1 (0.56) | KDM4EADRA1DADRA1AADRA1BABCB1 | |
| SCHEMBL10685213 | 0.74 | ADRA1D (0.51) | ADRA1DADRA1AADRA1BESR1PGR |
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-4719208-A | 1,2,3,4,5,6-hexahydroazepino(4,5-B)indole derivatives, their preparation, intermediate compounds, and their application in therapeutics | OMNICHEM SOCIETE ANONYME (BE) | 1988-01-12 | — | — | US | disclosed |