Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.36 |
| ▸ | MME | P08473 | 7/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27356033 | 0.78 | SMN1; SMN2 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL20037937 | 0.70 | HRH4 (0.39) | HTR2AHTR2CTDP1 | |
| SCHEMBL20255409 | 0.68 | KMT2A (0.50) | HDAC1HDAC2SMO | |
| SCHEMBL20037860 | 0.68 | MEN1 (0.42) | — | |
| SCHEMBL19773643 | 0.67 | ANPEP (0.48) | HDAC1HDAC2S1PR2S1PR4S1PR1 | |
| SCHEMBL20037873 | 0.66 | KDM4E (0.43) | TDP1S1PR2S1PR1S1PR3 | |
| SCHEMBL6127055 | 0.66 | LMNA (0.51) | S1PR2S1PR4S1PR1S1PR3CA1 | |
| SCHEMBL1832075 | 0.65 | PPARG (0.55) | TDP1PPARGPPARAEPHX2 | |
| SCHEMBL7293687 | 0.64 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL25187228 | 0.64 | CYP1A2 (0.55) | TDP1CPB2 |
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-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |