Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27505015 | 0.81 | DDAH1 (0.38) | CES1CA1CA2CES2ALDH1A1 | |
| SCHEMBL28271941 | 0.81 | CES1 (0.40) | CES1CA1CA2CES2ALDH1A1 | |
| SCHEMBL27633725 | 0.79 | CES1 (0.39) | CES1CA1CA2CES2ALDH1A1 | |
| SCHEMBL20163587 | 0.71 | CES1 (0.46) | CES1CA1CES2ALDH1A1TP53 | |
| SCHEMBL2469796 | 0.71 | CES1 (0.46) | CES1CA1CES2ALDH1A1TP53 | |
| SCHEMBL28779585 | 0.71 | CES1 (0.46) | CES1CA1CES2ALDH1A1TP53 | |
| SCHEMBL10698087 | 0.71 | CES1 (0.46) | CES1CA1CES2ALDH1A1TP53 | |
| SCHEMBL444337 | 0.70 | CES1 (0.44) | CES1CA1CES2ALDH1A1TP53 | |
| SCHEMBL4593133 | 0.70 | CES1 (0.44) | CES1CA1CES2ALDH1A1TP53 | |
| SCHEMBL1296406 | 0.69 | CES2 (0.48) | CES1CA1CES2ALDH1A1TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109689714-A | Silicone hydrogels comprising N-alkylmethacrylamides and contact lenses made therefrom | 庄臣及庄臣视力保护公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-108383902-A | Insulin analog dimer | 印第安纳大学研究及科技有限公司 | 2018-08-10 | — | — | CN | disclosed |
| CN-104981251-B | Insulin analog dimers | 印第安纳大学研究及科技有限公司 | 2018-03-20 | — | — | CN | disclosed |