Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL111438 | 0.86 | TSHR (0.58) | KDM4EALDH1A1KEAP1SMN1; SMN2TSHR | |
| SCHEMBL503668 | 0.85 | KDM4E (0.57) | KDM4EALDH1A1KEAP1SMN1; SMN2TSHR | |
| SCHEMBL7106263 | 0.84 | TSHR (0.61) | KDM4EALDH1A1KEAP1SMN1; SMN2TSHR | |
| SCHEMBL22840863 | 0.83 | KDM4E (0.55) | KDM4EALDH1A1KEAP1SMN1; SMN2TSHR | |
| SCHEMBL525957 | 0.83 | KDM4E (0.55) | KDM4EALDH1A1KEAP1SMN1; SMN2TSHR | |
| SCHEMBL4376068 | 0.82 | ALDH1A1 (0.53) | KDM4EALDH1A1KEAP1SMN1; SMN2TSHR | |
| SCHEMBL12371268 | 0.79 | HRH3 (0.46) | KDM4EALDH1A1SMN1; SMN2POLBCYP1A2 | |
| SCHEMBL8362022 | 0.78 | TSHR (0.51) | KDM4EALDH1A1KEAP1SMN1; SMN2TSHR | |
| SCHEMBL664660 | 0.78 | SMN1; SMN2 (0.48) | KDM4EALDH1A1KEAP1SMN1; SMN2TSHR | |
| SCHEMBL474810 | 0.78 | ALDH1A1 (0.51) | KDM4EALDH1A1KEAP1SMN1; SMN2TSHR |
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-2018081513-A1 | PRODRUGS OF KALLIKREIN INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2018-05-03 | — | — | WO | disclosed |