Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 9/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | PRKCG | P05129 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29940807 | 1.00 | KCNN4 (0.57) | KCNN4CYP2C9CES2CES1CYP2D6 | |
| SCHEMBL524825 | 0.96 | KCNN4 (0.56) | KCNN4CYP2C9CES2CES1CYP2D6 | |
| SCHEMBL29798769 | 0.96 | KCNN4 (0.56) | KCNN4CYP2C9CES2CES1CYP2D6 | |
| Bromomethane SCHEMBL207605 | 0.91 | KCNN4 (0.51) | KCNN4CYP2C9CES2CES1CYP2D6 | |
| Benzylic Acid SCHEMBL3169072 | 0.86 | CES2 (0.65) | KCNN4CYP2C9CES2CES1NPC1 | |
| Benzylic Acid SCHEMBL9181980 | 0.84 | CYP2C9 (0.71) | KCNN4CYP2C9CYP2D6HIF1ACYP1A2 | |
| SCHEMBL3227012 | 0.82 | CYP2C9 (0.64) | KCNN4CYP2C9CYP2D6HIF1AKIF11 | |
| Benzylic Acid SCHEMBL7066 | 0.82 | CYP2C9 (0.74) | KCNN4CYP2C9CYP2D6HIF1ACYP1A2 | |
| SCHEMBL12350296 | 0.81 | PTPRC (0.49) | KCNN4CES2CES1NPC1ALDH1A1 | |
| Benzylic Acid SCHEMBL11049826 | 0.80 | CYP2C9 (0.71) | KCNN4CYP2C9CYP2D6HIF1ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115108901-A | Synthetic method of alpha-hydroxycarboxylic acid compound | 四川大学 | 2022-09-27 | — | — | CN | disclosed |