Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 4/20 | 0.52 |
| ▸ | NQO1 | P15559 | 5/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.49 |
| ▸ | EYA3 | Q99504 | 1/20 | 0.49 |
| ▸ | PDE2A | O00408 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10794476 | 0.91 | HSD17B3 (0.62) | HSD17B3NQO1ESR2ESR1SLC22A12 | |
| SCHEMBL10790820 | 0.91 | HSD17B3 (0.62) | HSD17B3NQO1ESR2ESR1SLC22A12 | |
| SCHEMBL10791357 | 0.88 | HSD17B3 (0.59) | HSD17B3NQO1ESR2ESR1SLC22A12 | |
| SCHEMBL10791310 | 0.87 | HSD17B3 (0.57) | HSD17B3NQO1ESR2ESR1SLC22A12 | |
| SCHEMBL10794383 | 0.87 | HSD17B3 (0.61) | HSD17B3NQO1ESR2ESR1SLC22A12 | |
| SCHEMBL10789370 | 0.87 | ESR2 (0.64) | HSD17B3NQO1ESR2ESR1PDE2A | |
| SCHEMBL10794141 | 0.84 | HSD17B3 (0.65) | HSD17B3NQO1ESR2ESR1PDE2A | |
| SCHEMBL10651637 | 0.83 | SLC22A12 (0.50) | HSD17B3NQO1ESR2ESR1SLC22A12 | |
| SCHEMBL12369514 | 0.81 | NQO1 (0.62) | NQO1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL10795213 | 0.78 | HSD17B3 (0.74) | HSD17B3NQO1ESR2ESR1PDE2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0111746-B1 | SULFONIC-ACID ESTERS OF HYDROXYCOUMARINES, THEIR PREPARATION AND MEDICINES CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1987-09-16 | — | — | EP | disclosed |
| US-4618622-A | ANTIDEPRESSANTS, ANTIALLERGENS | BASF AKTIENGESELLSCHAFT (DE) | 1986-10-21 | — | — | US | disclosed |
| EP-0111746-A2 | Sulfonic-acid esters of hydroxycoumarines, their preparation and medicines containing them | BASF Aktiengesellschaft (DE) | 1984-06-27 | — | — | EP | disclosed |