Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9251351 | 1.00 | MEN1 (0.39) | MEN1KMT2ASMN1; SMN2GRM2CYP1A2 | |
| SCHEMBL9242502 | 0.95 | MEN1 (0.37) | MEN1KMT2ASMN1; SMN2GRM2CYP1A2 | |
| SCHEMBL9242513 | 0.95 | MEN1 (0.37) | MEN1KMT2ASMN1; SMN2GRM2CYP1A2 | |
| SCHEMBL9246803 | 0.87 | GAA (0.33) | MEN1KMT2ASMN1; SMN2GRM2DRD2 | |
| SCHEMBL9246798 | 0.87 | GAA (0.33) | MEN1KMT2ASMN1; SMN2GRM2DRD2 | |
| SCHEMBL9250755 | 0.84 | GAA (0.32) | MEN1KMT2AGRM2DRD2DRD3 | |
| SCHEMBL9250750 | 0.84 | GAA (0.32) | MEN1KMT2AGRM2DRD2DRD3 | |
| SCHEMBL9406269 | 0.83 | MAOA (0.40) | GRM2CYP1A2DRD2DRD3GAA | |
| SCHEMBL9406263 | 0.83 | MAOA (0.40) | GRM2CYP1A2DRD2DRD3GAA | |
| SCHEMBL8375636 | 0.83 | MAOA (0.51) | GRM2HRH3MAOAMAOBBCHE |
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-1995013257-A1 | 2,6-DIFLUOROBENZENES AND THEIR USE IN LIQUID-CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 1995-05-18 | — | — | WO | disclosed |