Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27487102 | 0.85 | ESR1 (0.43) | ESR1ESR2ALDH1A1L3MBTL1MEN1 | |
| SCHEMBL27487452 | 0.82 | HTR1A (0.41) | NR1H2NR1H3ALDH1A1LMNA | |
| SCHEMBL6882347 | 0.81 | ESR1 (0.45) | ESR1ESR2NR1H2NR1H3LTB4R2 | |
| SCHEMBL6883552 | 0.78 | ESR1 (0.56) | ESR1ESR2NR1H2NR1H3LTB4R2 | |
| SCHEMBL27489191 | 0.77 | ABAT (0.53) | ESR1ESR2NR1H2NR1H3ALDH1A1 | |
| SCHEMBL27489192 | 0.77 | DRD2 (0.36) | ESR1NR1H2NR1H3HTTALDH1A1 | |
| SCHEMBL27502133 | 0.75 | ESR1 (0.38) | ESR1ESR2MEN1KMT2ALMNA | |
| SCHEMBL249154 | 0.74 | HTT (0.44) | ESR1HTTALDH1A1L3MBTL1DHFR | |
| SCHEMBL27502136 | 0.73 | ENPP2 (0.44) | ESR1ESR2NR1H2NR1H3LTB4R2 | |
| SCHEMBL6883550 | 0.72 | ESR1 (0.43) | ESR1NR1H2NR1H3HTTALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100357258-C | Production of keto acids | CIBA SC HOLDING AG (CH) | 2007-12-26 | — | — | CN | disclosed |
| CN-1301962-C | Production of keto acids | CIBA SC HOLDING AG (CH) | 2007-02-28 | — | — | CN | disclosed |
| CN-1575274-A | Production of keto acids | CIBA SC HOLDING AG (CH) | 2005-02-02 | — | — | CN | disclosed |
| CN-1197062-A | Production of keto acids | CIBA SC HOLDING AG (CH) | 1998-10-28 | — | — | CN | disclosed |