Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28961326 | 0.81 | MEN1 (0.39) | KEAP1NFE2L2CHRM2CHRM1CHRM4 | |
| SCHEMBL25376 | 0.78 | KEAP1 (0.39) | KEAP1NFE2L2CHRM2CHRM1CHRM4 | |
| SCHEMBL6050060 | 0.78 | KEAP1 (0.39) | KEAP1NFE2L2CHRM2CHRM1CHRM4 | |
| Hydrochloric Acid SCHEMBL25753 | 0.77 | MEN1 (0.39) | KEAP1NFE2L2CHRM2CHRM1CHRM4 | |
| SCHEMBL28961321 | 0.76 | CNR2 (0.40) | KEAP1NFE2L2CHRM2CHRM1CHRM4 | |
| SCHEMBL6253388 | 0.70 | KEAP1 (0.46) | KEAP1NFE2L2CHRM2CHRM1CHRM4 | |
| SCHEMBL29089926 | 0.66 | CHRM2 (0.62) | CHRM2CHRM1CHRM4CHRM3CYP2C19 | |
| SCHEMBL896438 | 0.63 | CYP3A4 (0.34) | CHRM2CHRM1CHRM4CHRM3CYP2C19 | |
| SCHEMBL28538933 | 0.63 | KEAP1 (0.48) | KEAP1NFE2L2CHRM2CHRM1CHRM4 | |
| SCHEMBL717693 | 0.63 | CHRM2 (0.58) | KEAP1NFE2L2CHRM2CHRM1CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8793078-B2 | Method for predicting activation energy using atomic fingerprint descriptor or atomic descriptor | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2014-07-29 | — | — | US | disclosed |
| US-20120084012-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING ATOMIC FINGERPRINT DESCRIPTOR OR ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2012-04-05 | — | — | US | disclosed |
| US-20110213558-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2011-09-01 | — | — | US | disclosed |
| EP-2354987-A2 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | Bioinformatics&Molecular Design Research Center (KR) | 2011-08-10 | — | — | EP | disclosed |