Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 6/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 3/20 | 0.32 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSC | P53634 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7179553 | 0.83 | MAPT (0.44) | ALDH1A1KDM4EGAACTSK | |
| SCHEMBL7191231 | 0.71 | PTGER4 (0.48) | ALDH1A1KDM4EGAAHSD17B10 | |
| SCHEMBL7183015 | 0.71 | KDM4E (0.44) | ALDH1A1KDM4EGAAMAP2K1 | |
| SCHEMBL7183531 | 0.71 | ALDH1A1 (0.41) | ALDH1A1KDM4EGAAMAP2K1 | |
| SCHEMBL7185647 | 0.71 | KDM4E (0.44) | ALDH1A1KDM4EGAAMAP2K1 | |
| SCHEMBL7188673 | 0.70 | GAA (0.39) | ALDH1A1KDM4EGAAMAP2K1KCNH2 | |
| SCHEMBL7190795 | 0.70 | GAA (0.39) | ALDH1A1KDM4EGAAMAP2K1KCNH2 | |
| SCHEMBL7387168 | 0.69 | KDM4E (0.51) | ALDH1A1KDM4EGAACYP2C19 | |
| SCHEMBL13364155 | 0.66 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2C19HSD17B10MAPK1 | |
| SCHEMBL15595142 | 0.66 | LMNA (0.44) | ALDH1A1KDM4EGAAMAP2K1 |
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-6582351-B1 | Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-06-24 | — | — | US | disclosed |