Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.65 |
| ▸ | USP2 | O75604 | 4/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | PTPN1 | P18031 | 7/20 | 0.59 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.55 |
| ▸ | F3 | P13726 | 3/20 | 0.52 |
| ▸ | SIRT5 | Q9NXA8 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | OXTR | P30559 | 1/20 | 0.52 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.52 |
| ▸ | CD81 | P60033 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4739790 | 1.00 | CYP3A4 (0.65) | CYP3A4USP2TDP1KDM4EALDH1A1 | |
| Primulagenin SCHEMBL1050073 | 0.86 | PTPN1 (0.75) | CYP3A4USP2PTPN1AKR1B10AKR1B1 | |
| Primulagenin SCHEMBL179854 | 0.86 | PTPN1 (0.75) | CYP3A4USP2PTPN1AKR1B10AKR1B1 | |
| SCHEMBL4737968 | 0.83 | PTPN1 (0.64) | CYP3A4USP2PTPN1AKR1B10AKR1B1 | |
| SCHEMBL4737967 | 0.83 | PTPN1 (0.64) | CYP3A4USP2PTPN1AKR1B10AKR1B1 | |
| SCHEMBL1050549 | 0.81 | ALOX5 (0.75) | CYP3A4USP2PTPN1AKR1B10AKR1B1 | |
| Sumaresinolic Acid SCHEMBL15382986 | 0.78 | CYP3A4 (1.00) | CYP3A4USP2TDP1KDM4EALDH1A1 | |
| Sumaresinolic Acid SCHEMBL12447712 | 0.78 | CYP3A4 (1.00) | CYP3A4USP2TDP1KDM4EALDH1A1 | |
| Sumaresinolic Acid SCHEMBL14029520 | 0.78 | CYP3A4 (1.00) | CYP3A4USP2TDP1KDM4EALDH1A1 | |
| SCHEMBL13621821 | 0.77 | PTPN1 (0.74) | CYP3A4USP2PTPN1AKR1B10AKR1B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008071169-A2 | METHOD FOR THE PRODUCTION OF SPECIFIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE, IN PARTICULAR TYPE 1 WITH BASIC NOR-OLEANAN OR NOR-URSAN FRAMEWORKS | UNIVERSITÄTSKLINIKUM SCHLESWIG-HOLSTEIN (DE) | 2008-06-19 | — | — | WO | claimed |
| WO-2008071169-A2 | METHOD FOR THE PRODUCTION OF SPECIFIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE, IN PARTICULAR TYPE 1 WITH BASIC NOR-OLEANAN OR NOR-URSAN FRAMEWORKS | UNIVERSITÄTSKLINIKUM SCHLESWIG-HOLSTEIN (DE) | 2008-06-19 | — | — | WO | disclosed |