Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABAT | P80404 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27606438 | 0.87 | HRH3 (0.38) | ABATTAAR1MAPTCA2 | |
| SCHEMBL27588547 | 0.84 | CYP3A4 (0.45) | ALDH1A1L3MBTL1TDP1CA2 | |
| SCHEMBL27606419 | 0.81 | ENPP2 (0.51) | TAAR1KDM4EKMT2ABLMMAPT | |
| SCHEMBL27606516 | 0.81 | ESR1 (0.45) | ABATESR1ESR2KEAP1TAAR1 | |
| SCHEMBL27588531 | 0.79 | LOXL2 (0.45) | MAPT | |
| SCHEMBL27606277 | 0.79 | HRH3 (0.40) | TAAR1ALDH1A1SLC6A2 | |
| SCHEMBL27588526 | 0.79 | LTA4H (0.43) | TAAR1ALDH1A1IDO1 | |
| SCHEMBL29041286 | 0.77 | ESR1 (0.45) | ABATESR1ESR2KEAP1CYP2C19 | |
| SCHEMBL27668934 | 0.77 | PNMT (0.32) | — | |
| SCHEMBL28020723 | 0.76 | TAAR1 (0.38) | TAAR1ALDH1A1SLC6A2KMT2AIDO1 |
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-1553900-A | Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents | ��ʱ��ʩ����ҩ��˾ | 2004-12-08 | — | — | CN | disclosed |