Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA4 | P22748 | 3/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MPI | P34949 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.41 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6516691 | 1.00 | KDM4E (0.52) | KDM4EALDH1A1ALOX15MAPTCYP1A2 | |
| SCHEMBL30072260 | 0.87 | ESR1 (0.47) | KDM4EALDH1A1ALOX15MAPTCYP1A2 | |
| SCHEMBL29822769 | 0.81 | CYP1A2 (0.48) | KDM4EALDH1A1ALOX15MAPTCYP1A2 | |
| SCHEMBL3397203 | 0.78 | MIF (0.58) | KDM4EALDH1A1ALOX15MAPTCYP1A2 | |
| SCHEMBL8170612 | 0.78 | MIF (0.58) | KDM4EALDH1A1ALOX15MAPTCYP1A2 | |
| SCHEMBL3718505 | 0.77 | GABBR2 (0.54) | KDM4EALDH1A1ALOX15MAPTCYP1A2 | |
| SCHEMBL10807980 | 0.77 | GABBR2 (0.46) | KDM4EALDH1A1SMN1; SMN2CA1CA2 | |
| SCHEMBL6937641 | 0.77 | GABBR2 (0.46) | KDM4EALDH1A1SMN1; SMN2CA1CA2 | |
| Bicarbonate SCHEMBL11614213 | 0.77 | ALDH1A1 (0.79) | KDM4EALDH1A1ALOX15MAPTCYP1A2 | |
| SCHEMBL3718502 | 0.76 | ALDH1A1 (0.52) | KDM4EALDH1A1ALOX15MAPTCYP1A2 |
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-109134350-A | Donepezil-BHT heterozygote, preparation method and its for treating Alzheimer's disease | 中国药科大学 | 2019-01-04 | — | — | CN | claimed |
| EP-1512683-A1 | Novel opiate compounds, methods of making and methods of use | RESEARCH TRIANGLE INSTITUTE (US) | 2005-03-09 | — | — | EP | disclosed |