Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | SERPINH1 | P50454 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL8045044 | 0.84 | ALDH1A1 (0.34) | ALDH1A1HSD17B10LMNAKDM4EMAPT | |
| SCHEMBL8062753 | 0.79 | — | — | |
| SCHEMBL8056269 | 0.78 | ALDH1A1 (0.35) | TSHRALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL8045172 | 0.77 | VEGFA (0.35) | TSHRALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL8058104 | 0.77 | RARA (0.37) | TSHRALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL8056460 | 0.76 | TSHR (0.34) | TSHRALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL8060632 | 0.76 | ALDH1A1 (0.46) | TSHRALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL8045181 | 0.75 | ALDH1A1 (0.34) | TSHRALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL8062947 | 0.74 | CA12 (0.36) | TSHRALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL8058088 | 0.74 | ALDH1A1 (0.40) | TSHRALDH1A1HSD17B10LMNAKDM4E |
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 |