Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | WDR5 | P61964 | 6/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22471238 | 1.00 | ALDH1A1 (0.57) | ALDH1A1KMT2ALMNAMAPTTHRB | |
| SCHEMBL10128069 | 0.95 | ALDH1A1 (0.59) | ALDH1A1KMT2ALMNAMAPTTHRB | |
| SCHEMBL21245661 | 0.89 | ALDH1A1 (0.61) | ALDH1A1KMT2ALMNAMAPTTHRB | |
| SCHEMBL1640562 | 0.88 | ALDH1A1 (0.60) | ALDH1A1KMT2ALMNAMAPTTHRB | |
| SCHEMBL26655410 | 0.87 | ALDH1A1 (0.54) | ALDH1A1KMT2ALMNAMAPTTHRB | |
| SCHEMBL28483262 | 0.87 | ALDH1A1 (0.54) | ALDH1A1KMT2ALMNAMAPTTHRB | |
| SCHEMBL30198175 | 0.87 | ALDH1A1 (0.71) | ALDH1A1KMT2ALMNAMAPTTHRB | |
| SCHEMBL854050 | 0.87 | ALDH1A1 (0.71) | ALDH1A1KMT2ALMNAMAPTTHRB | |
| SCHEMBL10036442 | 0.86 | ALDH1A1 (0.59) | ALDH1A1KMT2ALMNAMAPTWDR5 | |
| SCHEMBL328462 | 0.86 | WDR5 (0.49) | ALDH1A1KMT2ALMNAWDR5POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115772113-A | Preparation method of Gilitinib intermediate, gilitinib intermediate prepared by preparation method and application of Gilitinib intermediate | 上海厚博生物科技有限公司 | 2023-03-10 | — | — | CN | claimed |
| CN-113614087-B | WEE1 inhibitor and preparation and application thereof | 首药控股(北京)股份有限公司 | 2023-06-02 | — | — | CN | disclosed |
| CN-115772113-A | Preparation method of Gilitinib intermediate, gilitinib intermediate prepared by preparation method and application of Gilitinib intermediate | 上海厚博生物科技有限公司 | 2023-03-10 | — | — | CN | disclosed |
| CN-115772113-A | Preparation method of Gilitinib intermediate, gilitinib intermediate prepared by preparation method and application of Gilitinib intermediate | 上海厚博生物科技有限公司 | 2023-03-10 | — | — | CN | disclosed |