Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 6/20 | 0.62 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.50 |
| ▸ | PDE2A | O00408 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.47 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.47 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8848474 | 0.87 | HSD17B3 (0.77) | HSD17B3ESR1ESR2PDE2ALMNA | |
| SCHEMBL10792497 | 0.87 | HSD17B3 (0.77) | HSD17B3ESR1ESR2PDE2ALMNA | |
| SCHEMBL10795110 | 0.86 | HSD17B3 (0.73) | HSD17B3ESR1ESR2PDE2AKDM4E | |
| SCHEMBL10794384 | 0.84 | HSD17B3 (0.58) | HSD17B3ESR1ESR2PDE2ALMNA | |
| SCHEMBL10794925 | 0.80 | HSD17B3 (0.60) | HSD17B3ESR1ESR2PDE2AKDM4E | |
| SCHEMBL10789515 | 0.80 | HSD17B3 (0.62) | HSD17B3ESR1ESR2PDE2AKDM4E | |
| SCHEMBL10791310 | 0.78 | HSD17B3 (0.57) | HSD17B3ESR1ESR2PDE2AKDM4E | |
| SCHEMBL10792491 | 0.77 | HSD17B3 (0.77) | HSD17B3ESR1ESR2PDE2ACDK5 | |
| SCHEMBL1024770 | 0.77 | HSD17B3 (1.00) | HSD17B3ESR1ESR2PDE2ALMNA | |
| SCHEMBL30640528 | 0.77 | HSD17B3 (1.00) | HSD17B3ESR1ESR2PDE2ALMNA |
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 |