Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CTBP2 | P56545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9504972 | 0.86 | CES1 (0.43) | CES1CES2AKR1B1TSHRTP53 | |
| SCHEMBL8166684 | 0.84 | ALDH1A1 (0.50) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL9702035 | 0.79 | CES1 (0.50) | CES1CES2AKR1B1TSHRTP53 | |
| SCHEMBL516687 | 0.77 | CES1 (0.48) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL523309 | 0.77 | CES1 (0.48) | CES1CES2AKR1B1TSHRTP53 | |
| SCHEMBL7702216 | 0.77 | SLC6A3 (0.46) | TSHRKMT2ACYP3A4ALDH1A1GAA | |
| SCHEMBL3933653 | 0.77 | CES1 (0.43) | CES1CES2AKR1B1TSHRTP53 | |
| Hydrochloric Acid SCHEMBL28891961 | 0.77 | ALDH1A1 (0.43) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL11423375 | 0.75 | CES2 (0.46) | CES1CES2AKR1B1TSHRTP53 | |
| SCHEMBL9631890 | 0.75 | MAOB (0.50) | CES1CES2AKR1B1TSHRMEN1 |
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-109923696-A | Electrode for cell and battery | 日产自动车株式会社 | 2019-06-21 | — | — | CN | disclosed |