Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MDM4 | O15151 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28056958 | 0.79 | MGLL (0.41) | KDM4ESMN1; SMN2ALDH1A1MAPTSIGMAR1 | |
| SCHEMBL28056956 | 0.79 | MAPT (0.41) | KDM4ETSHRSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL28056871 | 0.79 | EPHX1 (0.35) | KDM4ETSHRALDH1A1ACHELMNA | |
| SCHEMBL28056866 | 0.79 | SLC6A9 (0.43) | TSHRALDH1A1HPGD | |
| SCHEMBL28056869 | 0.75 | FFAR1 (0.33) | CA1CA2CA9 | |
| Isopropylbenzene SCHEMBL11603704 | 0.71 | SIGMAR1 (0.53) | KDM4ETSHRSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL28826651 | 0.69 | ABAT (0.35) | KDM4ESMN1; SMN2ALDH1A1MGLL | |
| SCHEMBL12461692 | 0.69 | PTGS2 (0.49) | KDM4ETSHRSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL28056948 | 0.68 | NPC1 (0.40) | KDM4ESMN1; SMN2ALDH1A1CYP3A4TP53 | |
| SCHEMBL28056872 | 0.68 | ALDH1A1 (0.42) | KDM4ETSHRSMN1; SMN2ALDH1A1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103992265-B | Two three bromo 1,3-bis-pyridine alkali propane and preparation method thereof, using method, recovery method and application | XI'AN JIAOTONG UNIVERSITY (CN) | 2016-02-24 | — | — | CN | disclosed |