Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28280504 | 0.87 | LMNA (0.50) | CES2CES1LMNATSHRALOX12 | |
| Octadecanoic Acid Amide SCHEMBL27647461 | 0.86 | CES2 (0.54) | CES2CES1TSHRALDH1A1KDM4E | |
| Toluene SCHEMBL10973065 | 0.85 | LMNA (0.52) | CES2CES1LMNATSHRALOX12 | |
| Butyramide SCHEMBL5983625 | 0.84 | FFAR3 (0.50) | CES2CES1TSHRSMN1; SMN2HPGD | |
| Toluene SCHEMBL585499 | 0.83 | HDAC3 (0.59) | CES2CES1LMNATSHRALOX12 | |
| Toluene SCHEMBL4119716 | 0.83 | CES2 (0.50) | CES2CES1LMNATSHRALOX12 | |
| Chlorobenzene SCHEMBL27932515 | 0.82 | CES2 (0.46) | CES2CES1TSHRSMN1; SMN2HPGD | |
| Benzoic Acid SCHEMBL30453578 | 0.82 | TSHR (0.56) | CES2CES1LMNATSHRSMN1; SMN2 | |
| Bromobenzene SCHEMBL27932521 | 0.82 | CES2 (0.46) | CES2CES1SMN1; SMN2HPGDL3MBTL1 | |
| Toluene SCHEMBL4678985 | 0.81 | HDAC3 (0.56) | CES2CES1LMNATSHRALOX12 |
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-105829288-B | Antibacterial 1H- indazole and 1H- indole derivatives | 爱杜西亚药品有限公司 | 2019-01-15 | — | — | CN | claimed |
| CN-105829288-A | Antibacterial 1h-indazole and 1h-indole derivatives | 埃科特莱茵药品有限公司 | 2016-08-03 | — | — | CN | claimed |
| CN-105829288-B | Antibacterial 1H- indazole and 1H- indole derivatives | 爱杜西亚药品有限公司 | 2019-01-15 | — | — | CN | disclosed |