Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.33 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.33 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.33 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19584788 | 0.75 | CYP2A6 (0.37) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL29569282 | 0.75 | CYP2A6 (0.37) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL26620651 | 0.74 | ALDH1A1 (0.40) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL31668718 | 0.70 | ADRA2A (0.45) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL8030619 | 0.70 | ADRA2A (0.45) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL20757767 | 0.69 | TRPC5 (0.42) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL17289586 | 0.69 | CYP1A2 (0.39) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL25072709 | 0.68 | ALDH1A1 (0.36) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL20987528 | 0.68 | ALDH1A1 (0.36) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL21855816 | 0.68 | PSMD14 (0.42) | ALDH1A1KDM4EGLAGAAHPGD |
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-115960109-A | Preparation and application of fused-ring SHP2 phosphatase inhibitor | 药雅科技(上海)有限公司 | 2023-04-14 | — | — | CN | disclosed |
| WO-2022237676-A1 | PREPARATION AND APPLICATION OF SHP2 PHOSPHATASE INHIBITOR | 药雅科技(上海)有限公司 | 2022-11-17 | — | — | WO | disclosed |