Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | GABRP | O00591 | 2/20 | 0.48 |
| ▸ | GABRD | O14764 | 2/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.48 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Phenylacetic Acid SCHEMBL7322793 | 0.84 | AKR1B1 (0.90) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL27758886 | 0.84 | AKR1B1 (1.00) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL13618842 | 0.84 | AKR1B1 (1.00) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL1459 | 0.84 | AKR1B1 (1.00) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL9449909 | 0.84 | AKR1B1 (1.00) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL28242469 | 0.84 | AKR1B1 (1.00) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL1330777 | 0.84 | AKR1B1 (1.00) | AKR1B1ABCC4LMNAGAATSHR | |
| SCHEMBL22068412 | 0.83 | AKR1B1 (0.77) | AKR1B1ABCC4LMNAGAATSHR | |
| SCHEMBL672320 | 0.82 | CES2 (0.47) | AKR1B1CYP1A2GAACES2CES1 | |
| Phenylacetic Acid SCHEMBL28199060 | 0.82 | AKR1B1 (0.85) | AKR1B1ABCC4LMNAGAATSHR |
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-114937771-A | Cathode material, preparation method thereof and lithium ion battery | 贝特瑞（江苏）新材料科技有限公司 | 2022-08-23 | — | — | CN | disclosed |