Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8060805 | 0.87 | RXRA (0.33) | TSHRALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL8063063 | 0.83 | KDM4E (0.36) | TSHRALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL8045342 | 0.82 | ALDH1A1 (0.33) | TSHRMAPK1ALDH1A1KDM4EMAPT | |
| SCHEMBL8057016 | 0.82 | ALDH1A1 (0.35) | TSHRALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL8060722 | 0.81 | ALDH1A1 (0.36) | TSHRALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL8058117 | 0.78 | — | — | |
| SCHEMBL8062814 | 0.78 | ALDH1A1 (0.35) | TSHRALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL8057340 | 0.78 | TSHR (0.34) | TSHRALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL8060801 | 0.75 | CTSL (0.34) | TSHRMAPK1ALDH1A1KDM4EMAPT | |
| SCHEMBL8060684 | 0.74 | CA1 (0.44) | ALDH1A1KDM4EMAPTHSD17B10HPGD |
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 |