Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8060732 | 0.81 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2ATMHPGDMAPT | |
| SCHEMBL8056514 | 0.78 | NPC1 (0.45) | ALDH1A1SMN1; SMN2ATMCASP3CA12 | |
| SCHEMBL21027869 | 0.78 | VEGFA (0.47) | ALDH1A1SMN1; SMN2ATMNPSR1CASP3 | |
| SCHEMBL8062934 | 0.76 | TSHR (0.35) | ALDH1A1HPGDMAPTLMNAKDM4E | |
| SCHEMBL11249792 | 0.75 | MAPT (0.53) | ALDH1A1SMN1; SMN2ATMNPSR1CASP3 | |
| SCHEMBL3029409 | 0.72 | MAPT (0.55) | ALDH1A1SMN1; SMN2ATMNPSR1MAPT | |
| SCHEMBL8057015 | 0.70 | RARB (0.44) | ALDH1A1SMN1; SMN2ATMPDK2CA12 | |
| SCHEMBL1535306 | 0.70 | CA12 (0.52) | ALDH1A1SMN1; SMN2ATMNPSR1CASP3 | |
| SCHEMBL31634622 | 0.70 | CA12 (0.52) | ALDH1A1SMN1; SMN2ATMNPSR1CASP3 | |
| SCHEMBL8060749 | 0.70 | CA1 (0.42) | ALDH1A1SMN1; SMN2ATMPDK2CA12 |
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 |