Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25020899 | 0.94 | KDM4E (0.44) | KDM4EALDH1A1TSHRCYP1A2CYP3A4 | |
| SCHEMBL28388786 | 0.78 | BRD4 (0.38) | KDM4EALDH1A1TSHRMAPK1CYP11B2 | |
| SCHEMBL18819887 | 0.78 | KDM4E (0.34) | KDM4EALDH1A1 | |
| SCHEMBL14988176 | 0.78 | CSNK1A1 (0.40) | KDM4EALDH1A1HTTMAPK1CYP11B2 | |
| SCHEMBL22890487 | 0.76 | KDM4E (0.39) | KDM4EALDH1A1TSHRCYP1A2CYP3A4 | |
| SCHEMBL29741000 | 0.76 | TSHR (0.39) | KDM4EALDH1A1TSHRHPGDMAPK1 | |
| SCHEMBL19009020 | 0.76 | TSHR (0.39) | KDM4EALDH1A1TSHRHPGDMAPK1 | |
| SCHEMBL30112211 | 0.74 | LRRK2 (0.38) | ALDH1A1LRRK2 | |
| SCHEMBL10037033 | 0.73 | SMN1; SMN2 (0.43) | KDM4EALDH1A1HTTMAPK1CYP11B2 | |
| SCHEMBL22889705 | 0.73 | KDM4E (0.33) | KDM4EALDH1A1HTTMAPK1CYP11B2 |
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-2021007477-A1 | INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS | E-SCAPE BIO, INC. (US) | 2021-01-14 | — | — | WO | disclosed |