Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.45 |
| ▸ | SHBG | P04278 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | STS | P08842 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12401916 | 1.00 | ESR1 (0.55) | ESR1ESR2HSD17B1SHBGSIGMAR1 | |
| SCHEMBL16527048 | 0.95 | ESR1 (0.58) | ESR1ESR2HSD17B1SHBGSIGMAR1 | |
| SCHEMBL13049833 | 0.89 | ESR1 (0.53) | ESR1ESR2HSD17B1SHBGCYP19A1 | |
| SCHEMBL8034552 | 0.89 | ESR1 (0.53) | ESR1ESR2HSD17B1SHBGCYP19A1 | |
| SCHEMBL4981817 | 0.85 | ESR1 (0.46) | ESR1ESR2CYP19A1MAOAMAOB | |
| SCHEMBL15577013 | 0.81 | HTR2C (0.58) | ESR1ESR2SLC6A4HTR2BTSHR | |
| SCHEMBL19302170 | 0.81 | HTR2C (0.58) | ESR1ESR2SLC6A4HTR2BTSHR | |
| SCHEMBL18468830 | 0.81 | HTR2C (0.58) | ESR1ESR2SLC6A4HTR2BTSHR | |
| SCHEMBL7913405 | 0.79 | ESR2 (0.57) | ESR1ESR2HSD17B1SHBGSIGMAR1 | |
| SCHEMBL6902991 | 0.79 | SRD5A1 (0.42) | ESR1ESR2LMNASLC6A4HTR2B |
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-118451066-A | 3-Phenyl-1-benzothiophene-2-carboxylic acid derivatives as inhibitors of branched alpha ketoacid dehydrogenase kinase for the treatment of diabetes, kidney disease, NASH and heart failure | 辉瑞大药厂 | 2024-08-06 | — | — | CN | disclosed |
| WO-2024125600-A1 | HETEROCYCLIC COMPOUNDS ACTING AS KRAS INHIBITORS, PREPARATION THEREFOR AND THERAPEUTIC USE THEREOF | 上海科州药物研发有限公司 | 2024-06-20 | — | — | WO | disclosed |
| CN-117813306-A | Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use | 上海科州药物研发有限公司 | 2024-04-02 | — | — | CN | disclosed |