Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18686503 | 0.80 | RAB9A (0.42) | PDK1ALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL4044685 | 0.77 | PDK1 (0.40) | PDK1CYP1A2ALDH1A1MAPTCYP3A4 | |
| SCHEMBL28012760 | 0.76 | ALDH1A1 (0.43) | THRATHRBALDH1A1HTTMAPT | |
| Bromide SCHEMBL19991780 | 0.75 | ALDH1A1 (0.42) | ALDH1A1HTTMAPTL3MBTL1SMN1; SMN2 | |
| SCHEMBL19645249 | 0.73 | PDK1 (0.46) | PDK1CYP1A2ALDH1A1HTTMAPT | |
| SCHEMBL30443513 | 0.71 | PDK1 (0.45) | PDK1CYP1A2ALDH1A1HTTMAPT | |
| SCHEMBL3956866 | 0.69 | ALDH1A1 (0.65) | ALDH1A1PTGESMAPTTSHRHSD17B10 | |
| SCHEMBL13881046 | 0.69 | PDK1 (0.41) | PDK1ALDH1A1MAPTSMN1; SMN2POLB | |
| SCHEMBL508871 | 0.69 | MAPT (0.51) | CYP1A2ALDH1A1MAPTCYP3A4TSHR | |
| SCHEMBL1620602 | 0.69 | ALDH1A1 (0.55) | CYP1A2ALDH1A1HTTMAPTCYP3A4 |
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-104447515-B | Prepare new intermediate of Ceritinib and preparation method thereof | 药源药物化学（上海）有限公司 | 2017-06-16 | — | — | CN | disclosed |