Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.84 |
| ▸ | DAO | P14920 | 2/20 | 0.51 |
| ▸ | NSD2 | O96028 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | LIG1 | P18858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | CASP2 | P42575 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | STK10 | O94804 | 3/20 | 0.36 |
| ▸ | SLK | Q9H2G2 | 3/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL28094093 | 0.92 | CES1 (0.93) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL594546 | 0.92 | CES1 (1.00) | CES1DAONSD2BCHELIG1 | |
| Methane SCHEMBL28257010 | 0.90 | CES1 (0.96) | CES1DAONSD2BCHELIG1 | |
| Toluene SCHEMBL28094090 | 0.85 | CES1 (0.79) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL712833 | 0.78 | CES1 (0.69) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL4180960 | 0.76 | CES1 (0.71) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL29194161 | 0.76 | CES1 (0.70) | CES1DAONSD2BCHEPDE7A | |
| SCHEMBL951019 | 0.73 | DAO (0.61) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL2478463 | 0.72 | CES1 (0.60) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL5329335 | 0.72 | DAO (0.56) | CES1DAONSD2BCHELIG1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105906544-B | A kind of S type 3- hydroxyl -3- alkynyl oxidized indole compounds and its synthetic method and application | 上海交通大学 | 2018-11-16 | — | — | CN | disclosed |
| CN-105906544-A | S-type 3-hydroxy-3-alkynyloxoindole compound and synthetic method and application thereof | 上海交通大学 | 2016-08-31 | — | — | CN | disclosed |