Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.46 |
| ▸ | CES2 | O00748 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 3/20 | 0.36 |
| ▸ | PPARD | Q03181 | 3/20 | 0.36 |
| ▸ | PPARA | Q07869 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL164095 | 0.98 | — | — | |
| Ammonia Solution, Strong SCHEMBL28067275 | 0.95 | CES1 (0.46) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL27469154 | 0.95 | CES1 (0.46) | CES1CES2ALDH1A1TP53CA1 | |
| Hydrochloric Acid SCHEMBL15846838 | 0.95 | CES1 (0.46) | CES1CES2ALDH1A1TP53CA1 | |
| Hydrogen Sulfide SCHEMBL27823450 | 0.95 | CES1 (0.46) | CES1CES2ALDH1A1TP53CA1 | |
| Dimethylamine SCHEMBL21409716 | 0.91 | CES1 (0.42) | CES1CES2ALDH1A1TP53CA1 | |
| Trimethylammonium SCHEMBL3296004 | 0.91 | ALDH1A1 (0.46) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL1082359 | 0.91 | CES2 (0.50) | CES1CES2ALDH1A1TP53FAAH | |
| Butylamine SCHEMBL28441038 | 0.89 | CES1 (0.41) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL16193927 | 0.88 | CES2 (0.52) | CES1CES2ALDH1A1TP53FAAH |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105263978-B | Salt tolerant star-like macromolecules | ATRP解决方案公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-104704067-B | Smooth self-lubricating polymer surface | 哈佛学院院长及董事 | 2018-04-10 | — | — | CN | disclosed |
| CN-105263978-A | Salt-tolerant star macromolecules | ATRP SOLUTIONS INC | 2016-01-20 | — | — | CN | disclosed |
| CN-104704067-A | Slippery self-lubricating polymer surfaces | HARVARD COLLEGE | 2015-06-10 | — | — | CN | disclosed |