Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL13957372 | 0.83 | CA1 (0.41) | CA1CA2KDM4EHTR6CHRM2 | |
| SCHEMBL21779797 | 0.82 | HTR6 (0.37) | CA1CA2KDM4ERAB9AHTR6 | |
| SCHEMBL13538135 | 0.81 | ALDH1A1 (0.45) | CA1CA2KDM4ERAB9AMEN1 | |
| SCHEMBL25638913 | 0.79 | PDE5A (0.43) | KDM4ERAB9ACHRM2HTR1AADRA2A | |
| SCHEMBL17194083 | 0.79 | CYP1A2 (0.53) | CA1CA2KDM4EHTR6MEN1 | |
| SCHEMBL30223689 | 0.76 | ALDH1A1 (0.39) | CA1CA2KDM4ECHRM2HTR1A | |
| SCHEMBL10063550 | 0.75 | MAOA (0.47) | MAOAMAOB | |
| SCHEMBL10063548 | 0.75 | NPC1 (0.50) | KDM4ERAB9AMEN1KMT2AHSD17B10 | |
| SCHEMBL9999764 | 0.73 | ACHE (0.47) | KDM4EHSD17B10ALDH1A1HTR2AHTR2C | |
| SCHEMBL10118675 | 0.73 | CYP1A2 (0.35) | — |
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-1641894-B1 | NOVEL MATERIALS FOR ELECTROLUMINESCENCE | MERCK PATENT GMBH (DE) | 2009-01-21 | — | — | EP | disclosed |