Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CD44 | P16070 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL1289385 | 0.83 | GAA (0.44) | TSHRACHEGAAGRIN2DGRIN3B | |
| Hydrochloric Acid SCHEMBL1457203 | 0.80 | CYP3A4 (0.48) | TSHRACHEGAAGRIN2DGRIN3B | |
| SCHEMBL14610527 | 0.77 | TSHR (0.39) | TSHRACHEGRIN2DGRIN3BGRIN1 | |
| SCHEMBL23030132 | 0.74 | CD44 (0.52) | TSHRACHEGAAGRIN2DGRIN3B | |
| SCHEMBL21733184 | 0.74 | CYP3A4 (0.36) | TSHRCD44ALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL10522290 | 0.74 | DRD2 (0.47) | GAAGRIN2DGRIN3BGRIN1GRIN2A | |
| Methylamine SCHEMBL27412030 | 0.73 | CYP3A4 (0.46) | TSHRACHECYP1A2CYP2A6CD44 | |
| SCHEMBL21876495 | 0.73 | ACHE (0.48) | TSHRACHEGAAGRIN2DGRIN3B | |
| SCHEMBL1997895 | 0.73 | GAA (0.59) | GAAGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL28057157 | 0.73 | TRPA1 (0.50) | TSHRGAAGRIN2DGRIN3BGRIN1 |
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-2046799-B1 | PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GENENTECH INC (US) | 2017-07-19 | — | — | EP | disclosed |