Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.50 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | THPO | P40225 | 2/20 | 0.47 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29037476 | 0.84 | PGK1 (0.39) | ESR1ESR2PDCD1CD274TAAR1 | |
| SCHEMBL1257866 | 0.79 | ESR1 (0.52) | ESR1ESR2PDCD1CD274TAAR1 | |
| SCHEMBL21380596 | 0.79 | ESR1 (0.52) | ESR1ESR2PDCD1CD274TAAR1 | |
| SCHEMBL11780285 | 0.77 | TSHR (0.55) | HIF1ATSHRALOX15KDM4ECYP3A4 | |
| SCHEMBL14669400 | 0.77 | TSHR (0.55) | HIF1ATSHRALOX15KDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL11240508 | 0.76 | ALOX15 (0.46) | ESR1ESR2PDCD1CD274TAAR1 | |
| SCHEMBL118557 | 0.75 | ESR1 (0.55) | ESR1ESR2PDCD1CD274TAAR1 | |
| SCHEMBL3649813 | 0.75 | ESR1 (0.55) | ESR1ESR2PDCD1CD274TAAR1 | |
| Bis(4-Hydroxyphenyl)Methanol SCHEMBL3642317 | 0.75 | CYP3A4 (0.62) | ESR1ESR2PDCD1CD274TAAR1 | |
| SCHEMBL23236775 | 0.74 | TPMT (0.35) | CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101010323-B | Bicyclononene derivatives as renin inhibitors | ACTELION PHARMACEUTICALS LTD | 2010-06-16 | — | — | CN | disclosed |
| CN-101010323-A | Bicyclononene derivatives as renin inhibitors | ACTELION PHARMACEUTICALS LTD (CH) | 2007-08-01 | — | — | CN | disclosed |