Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL79300 | 1.00 | PGR (0.46) | PGRCYP3A4ALOX15SMN1; SMN2CASP1 | |
| SCHEMBL168119 | 0.85 | CYP3A4 (0.43) | PGRCYP3A4ALOX15SMN1; SMN2CASP1 | |
| SCHEMBL2790363 | 0.83 | CYP3A4 (0.41) | PGRCYP3A4ALOX15SMN1; SMN2CASP1 | |
| SCHEMBL2059781 | 0.81 | ALDH1A1 (0.50) | PGRCYP3A4ALOX15ALDH1A1TSHR | |
| SCHEMBL29506834 | 0.81 | ALDH1A1 (0.50) | PGRCYP3A4ALOX15ALDH1A1TSHR | |
| Methyl Alcohol SCHEMBL27473713 | 0.80 | ALDH1A1 (0.52) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| SCHEMBL2443511 | 0.79 | ALDH1A1 (0.38) | PGRCYP3A4ALOX15SMN1; SMN2CASP1 | |
| SCHEMBL895143 | 0.79 | CYP3A4 (0.47) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| SCHEMBL2202080 | 0.79 | CYP3A4 (0.47) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| SCHEMBL70170 | 0.79 | TSHR (0.50) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115697993-B | Pyrimidine compounds as AXL inhibitors | 南京正大天晴制药有限公司 | 2024-12-10 | — | — | CN | disclosed |
| CN-112341498-B | Organic electroluminescent material and device | 环球展览公司 | 2024-09-10 | — | — | CN | disclosed |
| EP-4380560-A1 | LPAR1 ANTAGONISTS AND USES THEREOF | Contineum Therapeutics, Inc. (US) | 2024-06-12 | — | — | EP | disclosed |
| CN-113896744-B | Selective EGFR inhibitor | 成都先导药物开发股份有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-114315796-B | Compounds used as HPK1 kinase inhibitor, preparation method and application thereof | 中国药科大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-117430618-A | Organic compound, application thereof and organic electroluminescent device | 北京绿人科技有限责任公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-116670127-A | EGFR inhibitors and compositions and uses thereof | 贝达药业股份有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-116082312-A | Compounds useful as CDK7 kinase inhibitors and uses thereof | 浙江同源康医药股份有限公司 | 2023-05-09 | — | — | CN | disclosed |
| WO-2023014908-A1 | LPAR1 ANTAGONISTS AND USES THEREOF | Pipeline Therapeutics, Inc. (US) | 2023-02-09 | — | — | WO | disclosed |
| CN-115697993-A | Pyrimidines as AXL inhibitors | 南京正大天晴制药有限公司 | 2023-02-03 | — | — | CN | disclosed |
| WO-2022206797-A1 | EGFR INHIBITOR, AND COMPOSITION AND USE THEREOF | 贝达药业股份有限公司 | 2022-10-06 | — | — | WO | disclosed |
| CN-114380867-A | Organic electroluminescent material and device | 环球展览公司 | 2022-04-22 | — | — | CN | disclosed |
| CN-114315796-A | Compound used as HPK1 kinase inhibitor and preparation method and application thereof | 中国药科大学 | 2022-04-12 | — | — | CN | disclosed |