Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | CPA1 | P15085 | 2/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.36 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.36 |
| ▸ | CPB1 | P15086 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1162402 | 0.88 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2PTPN1 | |
| SCHEMBL435538 | 0.85 | CYP3A4 (0.50) | CYP3A4TDP1ESR1ESR2PTPN1 | |
| Succinic Acid SCHEMBL7629002 | 0.83 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL1045114 | 0.83 | GSK3B (0.76) | CYP3A4TDP1PTPN1GSK3BCES1 | |
| Dibromomethane SCHEMBL7950072 | 0.82 | TDP1 (0.75) | CYP3A4TDP1ESR1ESR2PTPN1 | |
| Dibromomethane SCHEMBL5329477 | 0.82 | TDP1 (0.75) | CYP3A4TDP1ESR1ESR2PTPN1 | |
| Bicarbonate SCHEMBL27340734 | 0.82 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2TSHR | |
| Bicarbonate SCHEMBL11213893 | 0.82 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL2443584 | 0.81 | HDAC3 (0.47) | CYP3A4TDP1ESR1ESR2KEAP1 | |
| Propionic Acid SCHEMBL10618056 | 0.81 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0832082-B1 | N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ASTRAZENECA AB (SE) | 2001-11-21 | — | — | EP | disclosed |
| US-6258817-B1 | PRODRUGS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | ZENECA LTD. (GB) | 2001-07-10 | — | — | US | disclosed |
| US-6060475-A | Substituted pyrazin-2-yl-sulphonamide-(3-pyridyl) compounds and uses thereof | ZENECA LIMITED (GB) | 2000-05-09 | — | — | US | disclosed |
| US-5866568-A | ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY | ZENECA LIMITED (GB) | 1999-02-02 | — | — | US | disclosed |
| EP-0832082-A1 | N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ZENECA LIMITED (GB) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040681-A1 | N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ZENECA LIMITED (GB) | 1996-12-19 | — | — | WO | disclosed |