Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.53 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | ABL2 | P42684 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.40 |
| ▸ | TUBB | P07437 | 2/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.40 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.40 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2535852 | 0.85 | EGFR (0.57) | AKR1C3BACE1EGFRMAPTTP53 | |
| SCHEMBL10554055 | 0.85 | EGFR (0.57) | AKR1C3BACE1EGFRMAPTTP53 | |
| SCHEMBL3423297 | 0.82 | AKR1C3 (0.53) | AKR1C3BACE1EGFRMAPTTP53 | |
| SCHEMBL8746634 | 0.82 | AKR1C3 (0.53) | AKR1C3BACE1EGFRMAPTTP53 | |
| SCHEMBL2083878 | 0.82 | AKR1C3 (0.53) | AKR1C3MAPTTDP1TBXAS1APEX1 | |
| SCHEMBL2083879 | 0.82 | AKR1C3 (0.53) | AKR1C3MAPTTDP1TBXAS1APEX1 | |
| SCHEMBL171035 | 0.81 | BACE1 (0.47) | BACE1MAPTABL1TUBB4ATUBB | |
| SCHEMBL2085780 | 0.81 | AKR1C3 (0.52) | AKR1C3EGFRMAPTSIRT1ABL1 | |
| SCHEMBL2085781 | 0.81 | AKR1C3 (0.52) | AKR1C3EGFRMAPTSIRT1ABL1 | |
| SCHEMBL6933701 | 0.81 | AKR1C3 (0.52) | AKR1C3TDP1TBXAS1APEX1GABRA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116574054-B | Selective estrogen receptor down regulator compound, preparation method and application | 南京中医药大学 | 2025-01-28 | — | — | CN | disclosed |
| CN-116574054-A | Selective estrogen receptor down regulator compound, preparation method and application | 南京中医药大学 | 2023-08-11 | — | — | CN | disclosed |
| EP-1352650-B1 | INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES | INST MED MOLECULAR DESIGN INC (JP) | 2012-03-07 | — | — | EP | disclosed |