Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.34 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.34 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 2/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.32 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.32 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7540081 | 1.00 | CYP2D6 (0.35) | CYP2D6CYP2C9GRIN2BKEAP1NFE2L2 | |
| Trifluoroacetic Acid SCHEMBL7376993 | 0.93 | GPR6 (0.36) | CYP2D6CYP2C9GRIN2BKMT2AL3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL7370016 | 0.93 | GPR6 (0.36) | CYP2D6CYP2C9GRIN2BKMT2AL3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL7921642 | 0.93 | GPR6 (0.36) | CYP2D6CYP2C9GRIN2BKMT2AL3MBTL1 | |
| SCHEMBL7413226 | 0.82 | MAPT (0.33) | CYP2D6CYP2C9GRIN2BKEAP1NFE2L2 | |
| SCHEMBL7375396 | 0.82 | MAPT (0.33) | CYP2D6CYP2C9GRIN2BKEAP1NFE2L2 | |
| Trifluoroacetic Acid SCHEMBL7921647 | 0.79 | DPP4 (0.38) | CYP2D6CYP2C9GRIN2BKMT2AL3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL7370017 | 0.79 | DPP4 (0.38) | CYP2D6CYP2C9GRIN2BKMT2AL3MBTL1 | |
| SCHEMBL2686767 | 0.78 | MEN1 (0.41) | CYP2C9KMT2AMEN1CYP3A4ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL7377780 | 0.75 | GPR6 (0.38) | CYP2C9ALDH1A1L3MBTL1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1086099-A4 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARM PROD INC (US) | 2002-01-02 | — | — | EP | claimed |
| US-6281227-B1 | INHIBITORS OF THE ACTIVITY OF FACTOR XA. | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2001-08-28 | — | — | US | claimed |
| EP-1086099-A1 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | Aventis Pharmaceuticals Products Inc. (US) | 2001-03-28 | — | — | EP | claimed |
| WO-1999062904-A1 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1086099-A4 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARM PROD INC (US) | 2002-01-02 | — | — | EP | disclosed |
| US-6281227-B1 | INHIBITORS OF THE ACTIVITY OF FACTOR XA. | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2001-08-28 | — | — | US | disclosed |
| EP-1086099-A1 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | Aventis Pharmaceuticals Products Inc. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999062904-A1 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 1999-12-09 | — | — | WO | disclosed |