Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.36 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | AGXT | P21549 | 2/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28172707 | 0.89 | HTR2A (0.41) | ALDH1A1ATMTDP1CES2CES1 | |
| Formic Acid SCHEMBL27372403 | 0.87 | CES2 (0.43) | ALDH1A1ATMTDP1CES2CES1 | |
| SCHEMBL168149 | 0.86 | — | — | |
| SCHEMBL29415157 | 0.86 | — | — | |
| Formaldehyde SCHEMBL27818197 | 0.84 | CES2 (0.43) | ALDH1A1ATMTDP1CES2CES1 | |
| Methylamine SCHEMBL28015012 | 0.84 | ALDH1A1 (0.48) | ALDH1A1ATMTDP1CES2CES1 | |
| SCHEMBL10672634 | 0.84 | ALDH1A1 (0.46) | ALDH1A1ATMTDP1CES2CES1 | |
| Phosphine SCHEMBL28192227 | 0.84 | ALDH1A1 (0.46) | ALDH1A1ATMTDP1CES2CES1 | |
| Hydrogen Sulfide SCHEMBL28281008 | 0.84 | ALDH1A1 (0.46) | ALDH1A1ATMTDP1CES2CES1 | |
| Hydrochloric Acid SCHEMBL27672354 | 0.84 | ALDH1A1 (0.46) | ALDH1A1ATMTDP1CES2CES1 |
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-104718188-B | The benzamides of N- substitutions and its purposes in treating pain | 基因泰克公司 | 2018-08-21 | — | — | CN | disclosed |