Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | MLYCD | O95822 | 3/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.33 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8558758 | 0.84 | PLA2G2D (0.55) | PLA2G2DCES1CES2MAPK1 | |
| SCHEMBL11669995 | 0.83 | ALDH1A1 (0.54) | ALDH1A1ALOX15CES1CES2KCNQ3 | |
| SCHEMBL121698 | 0.79 | TMPRSS4 (0.44) | ALDH1A1CES1CES2 | |
| SCHEMBL15648925 | 0.79 | LTA4H (0.44) | ALDH1A1PLA2G2DCES1CES2MAPK1 | |
| SCHEMBL29470947 | 0.74 | CES2 (0.67) | ALDH1A1ALOX15CES1CES2KCNQ3 | |
| SCHEMBL192962 | 0.74 | CES2 (0.67) | ALDH1A1ALOX15CES1CES2KCNQ3 | |
| SCHEMBL7880210 | 0.74 | CES1 (0.60) | ALDH1A1CES1MLYCDACHE | |
| SCHEMBL24166639 | 0.74 | MAPT (0.41) | ALDH1A1ALOX15PLA2G2DCES1CES2 | |
| SCHEMBL2966997 | 0.74 | DGAT1 (0.47) | ALDH1A1ALOX15CES1CES2 | |
| SCHEMBL759728 | 0.74 | KCNQ3 (0.54) | CES1CES2KCNQ3KCNQ2KCNE1 |
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-5747541-A | Substituted benzoylguanidines, a process for their preparation, their use as medicament of diagnostic agent, and medicament comprising them | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-05-05 | — | — | US | disclosed |