Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | ATM | Q13315 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19956096 | 0.82 | PARP10 (0.55) | HSP90AA1NPC1RAB9AALDH1A1PGR | |
| SCHEMBL24188 | 0.80 | TDP1 (0.56) | TDP1L3MBTL1CES2CES1ATM | |
| SCHEMBL2358014 | 0.80 | ATM (0.64) | TDP1L3MBTL1CES2CES1ATM | |
| SCHEMBL2238176 | 0.80 | TDP1 (0.56) | TDP1L3MBTL1CES2CES1ATM | |
| SCHEMBL11776724 | 0.80 | TDP1 (0.56) | TDP1L3MBTL1CES2CES1ATM | |
| SCHEMBL11776282 | 0.80 | TDP1 (0.56) | TDP1L3MBTL1CES2CES1ATM | |
| Water SCHEMBL27597000 | 0.78 | TDP1 (0.54) | TDP1L3MBTL1CES2CES1ATM | |
| SCHEMBL11287856 | 0.78 | TDP1 (0.54) | TDP1L3MBTL1CES2CES1ATM | |
| Hydrochloric Acid SCHEMBL27977560 | 0.78 | TDP1 (0.54) | TDP1L3MBTL1CES2CES1ATM | |
| SCHEMBL18241058 | 0.78 | CES1 (0.58) | TDP1L3MBTL1CES2CES1ATM |
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-107954882-A | A kind of preparation method of 2- amino -2- (the 4- tert-butyl group -2- ethoxyl phenenyls) ethanol | 上海泰禾国际贸易有限公司 | 2018-04-24 | — | — | CN | disclosed |