Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 9/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 6/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | HTR5A | P47898 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20600867 | 0.83 | BCHE (0.56) | TDO2BCHEIDO1HTR2BHTR5A | |
| SCHEMBL27962668 | 0.72 | BCHE (0.60) | TDO2BCHEIDO1HTR2BHTR5A | |
| SCHEMBL16763182 | 0.69 | TDO2 (0.61) | TDO2BCHEIDO1HTR2BHTR5A | |
| SCHEMBL20600847 | 0.68 | BCHE (0.51) | TDO2BCHEIDO1HTR2BHTR5A | |
| SCHEMBL30168582 | 0.67 | TDO2 (0.61) | TDO2BCHEPARP14KIF11 | |
| SCHEMBL3133995 | 0.66 | TDO2 (0.66) | TDO2BCHEIDO1HTR2BHTR5A | |
| SCHEMBL1683249 | 0.66 | KIF11 (0.52) | BCHEPARP14KIF11 | |
| SCHEMBL16516087 | 0.66 | KIF11 (0.61) | TDO2BCHEIDO1HTR2BHTR5A | |
| SCHEMBL442417 | 0.66 | KIF11 (0.53) | BCHEPARP14MEN1MAPTKMT2A | |
| SCHEMBL17102953 | 0.65 | TDO2 (1.00) | TDO2BCHEIDO1HTR2BHTR5A |
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-112707897-A | Thiophene allyl ethylene dicyan structure compound and preparation method thereof | 南京艾姆材料科技有限公司 | 2021-04-27 | — | — | CN | disclosed |