Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.38 |
| ▸ | CES2 | O00748 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.32 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL198129 | 0.92 | CES1 (0.44) | CES1CES2TSHRALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL16599967 | 0.90 | CES1 (0.42) | CES1CES2TSHRALDH1A1TP53 | |
| Acrylic Acid SCHEMBL28301528 | 0.89 | TSHR (0.39) | CES1CES2TSHRHPGDALDH1A1 | |
| SCHEMBL7028156 | 0.88 | CES1 (0.41) | CES1CES2TSHRALDH1A1TP53 | |
| SCHEMBL891395 | 0.86 | CES2 (0.46) | CES1CES2TSHRALDH1A1AKR1B1 | |
| SCHEMBL11761845 | 0.84 | CES2 (0.48) | CES1CES2TSHRALDH1A1 | |
| SCHEMBL2957228 | 0.84 | CES2 (0.48) | CES1CES2TSHRALDH1A1 | |
| SCHEMBL16538567 | 0.84 | CES2 (0.48) | CES1CES2TSHRALDH1A1 | |
| SCHEMBL1760742 | 0.84 | CES2 (0.48) | CES1CES2TSHRALDH1A1 | |
| SCHEMBL342353 | 0.84 | CES2 (0.48) | CES1CES2TSHRALDH1A1 |
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-110177827-A | Molded article and method for producing same | 住友化学株式会社 | 2019-08-27 | — | — | CN | disclosed |