Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.45 |
| ▸ | BAD | Q92934 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18689505 | 0.80 | CES2 (0.52) | CES2CES1CA1CA2BCL2L1 | |
| SCHEMBL8999129 | 0.79 | CES2 (0.54) | CES2CES1CA1CA2BCL2L1 | |
| SCHEMBL10704727 | 0.79 | CES2 (0.54) | CES2CES1CA1CA2BCL2L1 | |
| SCHEMBL13176937 | 0.79 | HSD17B1 (0.52) | CES2CA1CA2MAPT | |
| SCHEMBL15679301 | 0.79 | CES2 (0.68) | CES2CES1CA1CA2BCL2L1 | |
| SCHEMBL5382720 | 0.79 | ALDH1A1 (0.54) | CES2CES1NPC1RAB9AMAPT | |
| SCHEMBL15054815 | 0.77 | CES2 (0.52) | CES2CES1CA1CA2RAB9A | |
| SCHEMBL17591087 | 0.77 | MAPT (0.48) | CA1CA2NPC1RAB9AMAPT | |
| SCHEMBL2080074 | 0.77 | CES2 (0.52) | CES2CES1CA1CA2NPC1 | |
| SCHEMBL7324103 | 0.77 | CES2 (0.52) | CES2CES1CA1CA2BCL2L1 |
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-101146772-A | Arylamine ketone compound, synthesis method thereof, pharmaceutical composition containing arylamine ketone compound and application of arylamine ketone compound | INST MATERIA MEDICA CAMS (CN) | 2008-03-19 | — | — | CN | disclosed |