Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18796441 | 1.00 | PDK1 (0.39) | PDK1PDK2PDK3PDK4HSP90AA1 | |
| SCHEMBL6190860 | 0.88 | DHFR (0.39) | PTPN1RAB9AALDH1A1NPC1MEN1 | |
| SCHEMBL18796365 | 0.83 | CA12 (0.49) | PDK2PDK4PTPN1RAB9AALDH1A1 | |
| SCHEMBL30113113 | 0.83 | CA12 (0.49) | PDK2PDK4PTPN1RAB9AALDH1A1 | |
| SCHEMBL2968461 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MAPK1CYP3A4HPGD | |
| SCHEMBL30065877 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MAPK1CYP3A4HPGD | |
| SCHEMBL18796518 | 0.82 | MEN1 (0.46) | PTPN1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL30113210 | 0.82 | MEN1 (0.46) | PTPN1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL13904693 | 0.80 | MAPT (0.43) | HSP90AA1PTPN1RAB9AALDH1A1NPC1 | |
| SCHEMBL1134279 | 0.78 | KMT2A (0.38) | PTPN1RAB9AALDH1A1NPC1MEN1 |
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-108699021-B | Heterocyclic antiestrogens | 太阳医药高级研究有限公司 | 2022-10-04 | — | — | CN | disclosed |