Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2669896 | 0.91 | TP53 (0.42) | MEN1TP53KMT2ASMN1; SMN2POLB | |
| SCHEMBL9070790 | 0.89 | NAMPT (0.34) | MEN1TP53TSHRHTTKMT2A | |
| SCHEMBL2669769 | 0.88 | NAMPT (0.36) | MEN1TP53TSHRHTTKMT2A | |
| SCHEMBL2669989 | 0.87 | NAMPT (0.35) | MEN1TP53TSHRHTTKMT2A | |
| SCHEMBL2669960 | 0.87 | GCG (0.40) | MEN1TP53TSHRHTTKMT2A | |
| SCHEMBL2669955 | 0.86 | ESR1 (0.39) | ESR1PGRCHRM2HTR1AADRA2A | |
| SCHEMBL13069831 | 0.86 | NPC1 (0.33) | ESR1PGRCHRM2HTR1AADRA2A | |
| SCHEMBL2669958 | 0.84 | CASP3 (0.39) | MEN1KMT2A | |
| SCHEMBL2669959 | 0.84 | SRC (0.33) | MEN1TP53TSHRHTTKMT2A | |
| SCHEMBL2669939 | 0.84 | NPC1 (0.39) | ESR1PGRCHRM2HTR1AADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009110520-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-09-11 | — | — | WO | disclosed |