Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.32 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1758995 | 0.79 | — | — | |
| SCHEMBL4047284 | 0.77 | CES2 (0.39) | CES2CES1BCHEPTGES2RAB9A | |
| SCHEMBL29544314 | 0.75 | PTGES2 (0.41) | CES2CES1BCHEPTGES2RAB9A | |
| SCHEMBL21279548 | 0.75 | CES2 (0.38) | CES2CES1BCHEPTGES2RAB9A | |
| SCHEMBL3231386 | 0.75 | PTGES2 (0.41) | CES2CES1BCHEPTGES2RAB9A | |
| SCHEMBL1547937 | 0.75 | MAPT (0.39) | CES2CES1BCHEPTGES2RAB9A | |
| Hydrochloric Acid SCHEMBL3651004 | 0.73 | ALDH1A1 (0.43) | CES2CES1BCHEPTGES2RAB9A | |
| Bromide SCHEMBL20984837 | 0.73 | PTGES2 (0.40) | CES2CES1BCHEPTGES2RAB9A | |
| Hydrochloric Acid SCHEMBL29573282 | 0.73 | ALDH1A1 (0.43) | CES2CES1BCHEPTGES2RAB9A | |
| SCHEMBL9837431 | 0.72 | RAB9A (0.48) | CES2CES1BCHERAB9ANPC1 |
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-110248937-A | 4, 5-Cyclic 1,2, 4-triazolones | 拜耳股份有限公司 | 2019-09-17 | — | — | CN | disclosed |
| CN-107001372-A | Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith | 西格诺药品有限公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-104884424-B | Halo aniline and manufacture method thereof | 日本曹达株式会社 | 2016-08-24 | — | — | CN | disclosed |