Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8056252 | 0.87 | CA2 (0.35) | ALDH1A1KDM4EHPGDMAPTTSHR | |
| SCHEMBL8062781 | 0.87 | ALDH1A1 (0.36) | ALDH1A1KDM4EHPGDMAPTTSHR | |
| SCHEMBL8056471 | 0.84 | ALDH1A1 (0.38) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL8056404 | 0.79 | — | — | |
| SCHEMBL8062773 | 0.79 | TSHR (0.34) | ALDH1A1KDM4EHPGDMAPTTSHR | |
| SCHEMBL8056347 | 0.79 | TSHR (0.34) | ALDH1A1KDM4EHPGDMAPTTSHR | |
| SCHEMBL8058126 | 0.78 | TSHR (0.33) | ALDH1A1KDM4EHPGDMAPTTSHR | |
| SCHEMBL8056268 | 0.78 | ALDH1A1 (0.33) | ALDH1A1KDM4EHPGDMAPTTSHR | |
| SCHEMBL8057051 | 0.77 | TSHR (0.33) | ALDH1A1KDM4EHPGDMAPTTSHR | |
| SCHEMBL8060647 | 0.76 | TSHR (0.32) | ALDH1A1KDM4EHPGDMAPTTSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6028069-A | Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter | MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |