Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.44 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.44 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3379191 | 1.00 | CHRM1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3380090 | 0.82 | — | — | |
| SCHEMBL3381840 | 0.82 | CHRM1 (0.54) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3378311 | 0.82 | CHRM1 (0.54) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3381841 | 0.82 | CHRM1 (0.54) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3378314 | 0.82 | CHRM1 (0.54) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3377867 | 0.78 | TET2 (0.43) | SLC1A2SLC1A1SLC1A3GRIK1GRIK2 | |
| SCHEMBL3377870 | 0.78 | TET2 (0.43) | SLC1A2SLC1A1SLC1A3GRIK1GRIK2 | |
| SCHEMBL3379508 | 0.78 | RNPEP (0.47) | TSHRNPSR1MAPK1 | |
| SCHEMBL3379504 | 0.78 | RNPEP (0.47) | TSHRNPSR1MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | claimed |
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |