Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | LTC4S | Q16873 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9617796 | 0.68 | ALDH1A1 (0.35) | CYP3A4ALDH1A1ADORA3MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6000655 | 0.67 | MEN1 (0.34) | ALDH1A1ADORA3MEN1KMT2ARECQL | |
| SCHEMBL12774495 | 0.64 | ALDH1A1 (0.55) | CYP3A4ALDH1A1RORCHDAC8CYP2D6 | |
| SCHEMBL896439 | 0.63 | KEAP1 (0.38) | CYP3A4ALDH1A1SLC6A2CHRM2CHRM4 | |
| SCHEMBL8626864 | 0.61 | CYP3A4 (0.55) | CYP3A4ALDH1A1RORCSLC6A4CYP2C19 | |
| SCHEMBL717692 | 0.59 | CHRM2 (0.49) | CYP3A4ALDH1A1SLC6A2CHRM2CHRM4 | |
| SCHEMBL6664270 | 0.59 | HSD11B1 (0.38) | CYP3A4ALDH1A1SLC6A2CHRM2CHRM4 | |
| SCHEMBL872529 | 0.58 | ALDH1A1 (0.56) | CYP3A4ALDH1A1CYP2C19CYP1A2PKM | |
| SCHEMBL1574035 | 0.58 | ALDH1A1 (0.71) | CYP3A4ALDH1A1MEN1KMT2ARECQL | |
| SCHEMBL2742811 | 0.57 | ALDH1A1 (0.58) | CYP3A4ALDH1A1CYP2C19CYP1A2PKM |
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 |