Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | SLC9A1 | P19634 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HTR2B | P41595 | 3/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8390599 | 0.98 | KDM4E (0.57) | KDM4ECES2CES1SLC9A1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8391039 | 0.83 | TSHR (0.53) | KDM4ESLC9A1ALDH1A1HTR2BADRA2A | |
| SCHEMBL8668407 | 0.78 | HTR2B (0.55) | SLC9A1ALDH1A1HTR2BADRA2AMEN1 | |
| SCHEMBL13017375 | 0.77 | CES2 (0.60) | KDM4ECES2CES1ALDH1A1MEN1 | |
| SCHEMBL263770 | 0.76 | CES2 (0.65) | KDM4ECES2CES1ALDH1A1MEN1 | |
| SCHEMBL29843413 | 0.76 | CES2 (0.65) | KDM4ECES2CES1ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL7942184 | 0.76 | ADRA2A (0.56) | KDM4ESLC9A1ALDH1A1HTR2BADRA2A | |
| SCHEMBL14607348 | 0.76 | SLC9A1 (0.51) | SLC9A1HTR2BHTR7NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL8392499 | 0.76 | SLC9A1 (0.56) | SLC9A1ALDH1A1HTR2BHTR7RAB9A | |
| Hydrochloric Acid SCHEMBL8393886 | 0.76 | SMN1; SMN2 (0.53) | KDM4ESLC9A1ALDH1A1HTR2BLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1064954-C | Orthosubstituted benzoylguanidine, preparation of same, pharmaceutical containing same and application of same | HOECHST AG (DE) | 2001-04-25 | — | — | CN | claimed |
| EP-0640588-B1 | Orthosubstituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic agent and a medicament containing them | HOECHST AG (DE) | 1999-09-08 | — | — | EP | claimed |