Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 6/20 | 0.70 |
| ▸ | BCL2 | P10415 | 4/20 | 0.70 |
| ▸ | PGAM1 | P18669 | 6/20 | 0.62 |
| ▸ | PKLR | P30613 | 4/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 5/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.56 |
| ▸ | MAOA | P21397 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.56 |
| ▸ | RECQL | P46063 | 2/20 | 0.56 |
| ▸ | DAPK1 | P53355 | 2/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8773167 | 1.00 | MCL1 (0.70) | MCL1BCL2PGAM1PKLRPTPN1 | |
| SCHEMBL11120139 | 0.89 | MCL1 (0.61) | MCL1BCL2PGAM1PKLRPTPN1 | |
| SCHEMBL18984773 | 0.87 | MCL1 (0.61) | MCL1BCL2PGAM1PKLRPTPN1 | |
| SCHEMBL10948273 | 0.86 | MCL1 (0.57) | MCL1BCL2PGAM1PKLRPTPN1 | |
| SCHEMBL11303850 | 0.86 | MCL1 (0.57) | MCL1BCL2PGAM1PKLRPTPN1 | |
| SCHEMBL10951595 | 0.84 | MAOA (0.66) | MCL1BCL2MEN1KMT2AMAOA | |
| SCHEMBL29388375 | 0.82 | BCL2 (1.00) | MCL1BCL2PGAM1PKLRPTPN1 | |
| SCHEMBL29384381 | 0.82 | BCL2 (1.00) | MCL1BCL2PGAM1PKLRPTPN1 | |
| SCHEMBL555230 | 0.82 | BCL2 (1.00) | MCL1BCL2PGAM1PKLRPTPN1 | |
| SCHEMBL10949445 | 0.82 | ALDH1A1 (0.67) | MCL1BCL2MEN1KMT2AMAOA |
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-110317137-B | 9, 10-anthraquinone compound or pharmaceutically acceptable salt thereof and pharmaceutical application thereof | 复旦大学 | 2022-04-19 | — | — | CN | disclosed |