Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 8/20 | 0.60 |
| ▸ | ESR1 | P03372 | 6/20 | 0.60 |
| ▸ | AR | P10275 | 1/20 | 0.60 |
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | GLA | P06280 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141330 | 0.84 | CYP2C9 (0.64) | HSD17B3ESR1ARNQO1CYP2C9 | |
| SCHEMBL1476174 | 0.83 | HSD17B3 (0.74) | HSD17B3ESR1NQO1XDHKDM4E | |
| Hydrochloric Acid SCHEMBL334089 | 0.82 | HSD17B3 (0.72) | HSD17B3NQO1XDHKDM4EGLA | |
| Hydrochloric Acid SCHEMBL7145361 | 0.81 | HSD17B3 (0.70) | HSD17B3ESR1NQO1XDHKDM4E | |
| SCHEMBL6200660 | 0.78 | ERAP1 (0.56) | HSD17B3ESR1ARNQO1CYP2C9 | |
| SCHEMBL14384569 | 0.77 | CYP2C9 (0.70) | HSD17B3ESR1ARNQO1CYP2C9 | |
| SCHEMBL5284518 | 0.76 | KDM4E (0.60) | HSD17B3ESR1ARNQO1CYP2C9 | |
| SCHEMBL10637081 | 0.74 | HSD17B3 (0.69) | HSD17B3ESR1ARCYP2C9KDM4E | |
| SCHEMBL14111526 | 0.71 | AKR1B1 (0.56) | HSD17B3ESR1ARCYP2C9KDM4E | |
| SCHEMBL10794465 | 0.70 | HSD17B3 (0.73) | HSD17B3ESR1NQO1KDM4EGLA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010010343-A1 | STABILISATION | DE MONTFORT UNIVERSITY (GB) | 2010-01-28 | — | — | WO | disclosed |
| EP-1095032-B1 | REAGENTS FOR CYP2D FLUORESCENT ASSAY | GENTEST CORP (US) | 2003-12-10 | — | — | EP | disclosed |
| EP-1095032-A1 | NOVEL CYP2D FLUORESCENT ASSAY REAGENTS | GENTEST CORPORATION (US) | 2001-05-02 | — | — | EP | disclosed |
| US-6130342-A | A 2-OXOCHROMAN COMPOUND CONTAINING A QUATERNARY AMINE GROUP | GENTEST CORPORATION (US) | 2000-10-10 | — | — | US | disclosed |
| WO-2000004008-A1 | NOVEL CYP2D FLUORESCENT ASSAY REAGENTS | GENTEST CORPORATION (US) | 2000-01-27 | — | — | WO | disclosed |