Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6557724 | 0.84 | ALDH1A1 (0.52) | ALDH1A1KEAP1CCNE2CCNE1CDK2 | |
| SCHEMBL29901139 | 0.83 | ALDH1A1 (0.62) | ALDH1A1KEAP1CCNE2CCNE1CDK2 | |
| SCHEMBL21088009 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KEAP1CCNE2CCNE1CDK2 | |
| SCHEMBL28228449 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KEAP1TAAR1BACE1CYP1A1 | |
| Hydrochloric Acid SCHEMBL29901111 | 0.80 | ALDH1A1 (0.59) | ALDH1A1KEAP1CCNE2CCNE1CDK2 | |
| SCHEMBL3789841 | 0.80 | TAAR1 (0.50) | ALDH1A1KEAP1CCNE2CCNE1CDK2 | |
| SCHEMBL3793169 | 0.80 | ALDH1A1 (0.54) | ALDH1A1KEAP1TAAR1BACE1CYP1A2 | |
| SCHEMBL29492484 | 0.80 | ALDH1A1 (0.54) | ALDH1A1KEAP1TAAR1BACE1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9311952 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KEAP1TAAR1BACE1CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL11901716 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KEAP1TAAR1BACE1CYP1A2 |
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-2019110521-A1 | FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 | Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) | 2019-06-13 | — | — | WO | disclosed |