Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.67 |
| ▸ | CASP1 | P29466 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11735289 | 0.97 | ACHE (0.71) | ACHECASP1CYP3A4RECQLALDH1A1 | |
| SCHEMBL11789 | 0.97 | — | — | |
| SCHEMBL29350699 | 0.97 | — | — | |
| Aniline SCHEMBL11007120 | 0.95 | ACHE (0.60) | ACHECASP1CYP3A4RECQLALDH1A1 | |
| SCHEMBL16070950 | 0.94 | ACHE (0.58) | ACHECASP1CYP3A4RECQLALDH1A1 | |
| Hydrochloric Acid SCHEMBL2477661 | 0.94 | — | — | |
| SCHEMBL11219986 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL2551919 | 0.94 | — | — | |
| SCHEMBL22719995 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL7913171 | 0.94 | ACHE (0.67) | ACHECASP1CYP3A4RECQLALDH1A1 |
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-105753752-B | A kind of preparation method of the adjacent diamine compounds of chirality | 安徽师范大学 | 2018-02-27 | — | — | CN | disclosed |