Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | LNPEP | Q9UIQ6 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MDM4 | O15151 | 1/20 | 0.56 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.56 |
| ▸ | MIF | P14174 | 2/20 | 0.52 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ELANE | P08246 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.46 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL5614085 | 1.00 | ESR1 (0.61) | ESR1ESR2NPSR1KMT2ALNPEP | |
| SCHEMBL5614087 | 1.00 | ESR1 (0.61) | ESR1ESR2NPSR1KMT2ALNPEP | |
| Hydrochloric Acid SCHEMBL7431317 | 0.98 | ESR1 (0.59) | ESR1ESR2NPSR1KMT2ALNPEP | |
| Hydrochloric Acid SCHEMBL7431323 | 0.98 | ESR1 (0.59) | ESR1ESR2NPSR1KMT2ALNPEP | |
| SCHEMBL14190611 | 0.87 | ESR1 (0.50) | ESR1ESR2NPSR1KMT2ALNPEP | |
| SCHEMBL973730 | 0.87 | BACE1 (0.53) | ESR1ESR2NPSR1KMT2ALNPEP | |
| SCHEMBL8246144 | 0.87 | BACE1 (0.53) | ESR1ESR2NPSR1KMT2ALNPEP | |
| SCHEMBL16340004 | 0.87 | ESR1 (0.50) | ESR1ESR2NPSR1KMT2ALNPEP | |
| SCHEMBL10076406 | 0.86 | ATM (0.58) | ESR1ESR2NPSR1KMT2ALNPEP | |
| SCHEMBL12726153 | 0.86 | ESR1 (0.61) | ESR1ESR2NPSR1KMT2ALNPEP |
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 |
|---|---|---|---|---|---|---|---|
| EP-3502120-B1 | PANAXDIOL-TYPE GINSENOSIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | UNIV ARMY MEDICAL (CN) | 2022-05-25 | — | — | EP | disclosed |