Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28151373 | 0.86 | FDPS (0.46) | CA2MAPK1MAPTFAAH | |
| SCHEMBL9196953 | 0.83 | CHRM1 (0.34) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL11308463 | 0.78 | CHRM1 (0.35) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL8413987 | 0.76 | CHRM1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL1706476 | 0.76 | CHRM1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL4106618 | 0.76 | CHRM1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL891950 | 0.76 | CHRM1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3489325 | 0.75 | CES1 (0.44) | TSHRFAAH | |
| SCHEMBL3642623 | 0.74 | CHRM1 (0.39) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL423787 | 0.74 | CHRM1 (0.39) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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-2013026149-A1 | DIMETHYL-(3,3-DIFLUORO-2,2-DIHYDROXYHEPTYL)PHOSPHONATE AND PROCESSES FOR ITS PREPARATION | APOTEX PHARMACHEM INC. (CA) | 2013-02-28 | — | — | WO | disclosed |