Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.59 |
| ▸ | GBA1 | P04062 | 1/20 | 0.49 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 SCHEMBL27805825 | 0.85 | AKR1B1 (0.68) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL27717158 | 0.85 | AKR1B1 (0.74) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL27661359 | 0.82 | AKR1B1 (0.63) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL9555521 | 0.82 | AKR1B1 (0.68) | AKR1B1ABCC4LMNAGAATSHR | |
| Benzyl Alcohol SCHEMBL27695968 | 0.80 | TSHR (0.54) | GBA1LMNATSHR | |
| Phenylacetic Acid SCHEMBL11709776 | 0.79 | AKR1B1 (0.94) | AKR1B1ABCC4LMNAGAATSHR | |
| Ethylbenzene SCHEMBL27515696 | 0.79 | TP53 (0.52) | GBA1LMNAHTT | |
| Phenylacetic Acid SCHEMBL17956884 | 0.77 | AKR1B1 (0.61) | AKR1B1ABCC4LMNAGAATSHR | |
| SCHEMBL1477277 | 0.77 | GBA1 (0.50) | AKR1B1GBA1LMNATSHRALDH1A1 | |
| Phenylacetic Acid SCHEMBL9449909 | 0.77 | AKR1B1 (1.00) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110577514-B | Human epidermal growth factor receptor inhibitor and preparation method and application thereof | 江苏威凯尔医药科技有限公司 | 2022-07-05 | — | — | CN | disclosed |
| CN-110577514-A | human epidermal growth factor receptor inhibitor and preparation method and application thereof | 江苏威凯尔医药科技有限公司 | 2019-12-17 | — | — | CN | disclosed |