Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22946170 | 0.90 | ALDH1A1 (0.40) | ALDH1A1CYP2A13MAPTSMN1; SMN2 | |
| SCHEMBL22946183 | 0.85 | ABCB1 (0.39) | ALDH1A1HPGDCYP2A13MAPTLMNA | |
| SCHEMBL22945861 | 0.85 | MAPT (0.35) | ALDH1A1HPGDMAPTLMNANPC1 | |
| SCHEMBL22946181 | 0.83 | ALDH1A1 (0.32) | ALDH1A1HPGDCYP2A13USP2BCHE | |
| SCHEMBL22946164 | 0.79 | CYP2A13 (0.35) | ALDH1A1CYP2A13LMNASMN1; SMN2 | |
| SCHEMBL22946180 | 0.79 | HPGD (0.32) | ALDH1A1HPGDMAPTLMNASMN1; SMN2 | |
| SCHEMBL8570570 | 0.77 | KDM4E (0.43) | ALDH1A1HPGDMAPTLMNANPC1 | |
| SCHEMBL22946333 | 0.76 | ALDH1A1 (0.32) | ALDH1A1HPGD | |
| SCHEMBL22946173 | 0.76 | SMN1; SMN2 (0.31) | HPGDSMN1; SMN2 | |
| SCHEMBL22946182 | 0.75 | ALDH1A1 (0.39) | ALDH1A1CYP2A13MAPTLMNANPC1 |
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-2021018135-A1 | HETEROCYCLYL ALKYL SUBSTITUTED DICHLOROBENZOYL COMPOUNDS AND APPLICATIONS THEREOF | 东莞市东阳光农药研发有限公司 | 2021-02-04 | — | — | WO | disclosed |