Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 16/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.36 |
| ▸ | HPGD | P15428 | 9/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 4/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8056980 | 0.81 | TSHR (0.34) | ALDH1A1KDM4EHPGDGAALMNA | |
| SCHEMBL8060805 | 0.79 | RXRA (0.33) | ALDH1A1KDM4EHPGDGAALMNA | |
| SCHEMBL8056991 | 0.78 | ALDH1A1 (0.33) | ALDH1A1KDM4EHPGDGAALMNA | |
| SCHEMBL8060710 | 0.77 | TSHR (0.33) | ALDH1A1KDM4EHPGDGAALMNA | |
| SCHEMBL8058203 | 0.76 | CA12 (0.41) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8058091 | 0.75 | TSHR (0.34) | ALDH1A1KDM4EHPGDGAALMNA | |
| SCHEMBL8057016 | 0.73 | ALDH1A1 (0.35) | ALDH1A1KDM4EHPGDGAALMNA | |
| SCHEMBL8056978 | 0.72 | RXRA (0.34) | ALDH1A1KDM4EHPGDGAALMNA | |
| SCHEMBL8062814 | 0.72 | ALDH1A1 (0.35) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8060801 | 0.72 | CTSL (0.34) | ALDH1A1KDM4EHPGDGAALMNA |
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 |