Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.50 |
| ▸ | CA12 | O43570 | 6/20 | 0.50 |
| ▸ | CA9 | Q16790 | 6/20 | 0.50 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA4 | P22748 | 4/20 | 0.50 |
| ▸ | CA6 | P23280 | 4/20 | 0.50 |
| ▸ | CA5A | P35218 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.42 |
| ▸ | PTGES2 | Q9H7Z7 | 5/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30885712 | 0.83 | CA12 (0.50) | CA2CA12CA9CA1CA4 | |
| SCHEMBL2778211 | 0.83 | CA12 (0.50) | CA2CA12CA9CA1CA4 | |
| SCHEMBL3420766 | 0.81 | KEAP1 (0.42) | CA2CYP2C9ALDH1A1SLC40A1CYP2C19 | |
| SCHEMBL4008921 | 0.81 | L3MBTL1 (0.47) | ALDH1A1SLC40A1KEAP1PTGS2KDM4E | |
| SCHEMBL789994 | 0.80 | PTGS1 (0.48) | CA2CA12CA9CA1CA7 | |
| SCHEMBL29556118 | 0.80 | PTGS1 (0.48) | CA2CA12CA9CA1CA7 | |
| SCHEMBL23978197 | 0.78 | CA2 (0.50) | CA2CA12CA9CA1CA4 | |
| Hydrochloric Acid SCHEMBL29968814 | 0.78 | PTGS1 (0.47) | CA2CA12CA9CA1CA7 | |
| Iodide SCHEMBL28547721 | 0.78 | PTGS1 (0.47) | CA2CA12CA9CA1CA7 | |
| SCHEMBL28198323 | 0.78 | CA9 (0.48) | CA2CA12CA9CA1CA6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115611897-A | Compounds as RSK2 inhibitors and uses thereof | 南京圣和药业股份有限公司 | 2023-01-17 | — | — | CN | disclosed |
| EP-2870144-B1 | OREXIN RECEPTOR ANTAGONISTS | HEPTARES THERAPEUTICS LTD (GB) | 2017-04-19 | — | — | EP | disclosed |
| CN-1081633-C | 1,2, 4-benzothiadiazine derivatives, method for preparing same and use thereof | NOVO NORDISK AS (DK) | 2002-03-27 | — | — | CN | disclosed |
| US-6242443-B1 | 1,2,4-benzothiadiazine derivatives, their preparation and use | NOVO NORDISK AIS (DK) | 2001-06-05 | — | — | US | disclosed |
| CN-1222910-A | 1,2, 4-benzothiadiazine derivatives, method for preparing same and use thereof | NOVO NORDISK AS (DK) | 1999-07-14 | — | — | CN | disclosed |
| EP-0906297-A1 | 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997049692-A1 | 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1997-12-31 | — | — | WO | disclosed |