Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.57 |
| ▸ | PTPRC | P08575 | 4/20 | 0.52 |
| ▸ | CDC25B | P30305 | 4/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.52 |
| ▸ | PTPRF | P10586 | 1/20 | 0.52 |
| ▸ | CDC25A | P30304 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | THRB | P10828 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28277167 | 1.00 | BACE1 (0.57) | BACE1PTPRCCDC25BPTPN1PTPRF | |
| SCHEMBL1408501 | 0.94 | BACE1 (0.64) | BACE1PTPRCCDC25BPTPN1PTPRF | |
| SCHEMBL8401213 | 0.81 | CDC25A (0.44) | BACE1PTPRCCDC25BPTPN1CDC25A | |
| SCHEMBL8240772 | 0.80 | BACE1 (0.48) | BACE1PTPRCCDC25BPTPN1PTPRF | |
| SCHEMBL9120460 | 0.80 | PTPN1 (0.50) | BACE1PTPRCCDC25BPTPN1PTPRF | |
| SCHEMBL3444897 | 0.80 | CDC25B (0.57) | BACE1PTPRCCDC25BPTPN1PTPRF | |
| SCHEMBL978806 | 0.79 | BACE1 (0.48) | BACE1PTPRCCDC25BPTPN1PTPRF | |
| SCHEMBL142992 | 0.78 | PTPRC (0.51) | BACE1PTPRCCDC25BPTPN1PTPRF | |
| SCHEMBL13475649 | 0.77 | BACE1 (0.46) | BACE1PTPRCCDC25BPTPN1PTPRF | |
| SCHEMBL31682254 | 0.77 | MAPK1 (0.61) | BACE1PTPRCCDC25BPTPN1PTPRF |
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-114805398-A | Preparation method of ecteinascidin compound | 江苏恒瑞医药股份有限公司 | 2022-07-29 | — | — | CN | claimed |
| CN-114805398-A | Preparation method of ecteinascidin compound | 江苏恒瑞医药股份有限公司 | 2022-07-29 | — | — | CN | disclosed |