Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8062771 | 0.82 | ALDH1A1 (0.36) | KDM4ENPC1SMN1; SMN2RAB9ANPSR1 | |
| SCHEMBL8060646 | 0.77 | ALDH1A1 (0.35) | KDM4EALDH1A1TSHRKMT2AHSD17B10 | |
| SCHEMBL8058128 | 0.75 | KDM4E (0.52) | CASP3KDM4ENPC1SMN1; SMN2RAB9A | |
| SCHEMBL8062898 | 0.74 | CYP3A4 (0.44) | KDM4ESMN1; SMN2ALDH1A1TSHRKMT2A | |
| SCHEMBL8056289 | 0.73 | ALDH1A1 (0.46) | KDM4ESMN1; SMN2NPSR1ALDH1A1TSHR | |
| SCHEMBL8057115 | 0.73 | ALDH1A1 (0.45) | CASP3KDM4ENPC1SMN1; SMN2RAB9A | |
| SCHEMBL8056997 | 0.72 | CA12 (0.41) | KDM4ENPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL8057005 | 0.72 | RARA (0.48) | KDM4ESMN1; SMN2ALDH1A1KMT2AALOX15 | |
| SCHEMBL8058029 | 0.72 | PDK2 (0.42) | KDM4ENPC1SMN1; SMN2RAB9ANPSR1 | |
| SCHEMBL8057407 | 0.71 | PDK2 (0.41) | KDM4ESMN1; SMN2RAB9ANPSR1ALDH1A1 |
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 |