Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
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 SCHEMBL8332845 | 0.99 | PLAU (0.37) | PLAUNPFFR2CYP1A2CYP2C19NPSR1 | |
| SCHEMBL8428730 | 0.85 | NPSR1 (0.44) | NPFFR2CYP1A2CYP2C19NPSR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8430572 | 0.84 | NPSR1 (0.44) | NPFFR2CYP1A2CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL7797863 | 0.84 | P4HB (0.38) | NPFFR2CYP1A2CYP2C19NPSR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7791921 | 0.83 | P4HB (0.38) | NPFFR2CYP1A2CYP2C19NPSR1ALDH1A1 | |
| SCHEMBL8428715 | 0.82 | SIRT1 (0.46) | CYP1A2CYP2C19NPSR1ALDH1A1CYP2C9 | |
| SCHEMBL8428392 | 0.82 | SCN5A (0.42) | NPFFR2CYP1A2CYP2C19NPSR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8426168 | 0.81 | SIRT1 (0.46) | CYP1A2CYP2C19NPSR1ALDH1A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL8333476 | 0.81 | SCN5A (0.41) | NPFFR2CYP1A2CYP2C19NPSR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8655513 | 0.79 | TOP1 (0.39) | NPFFR2CYP2C19ALDH1A1CYP2C9HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0791577-B1 | Ortho-substituted benzylguanidines, process for their preparation and their use as medicament or diagnostic agent as well as medicament containing them | HOECHST AG (DE) | 1999-11-03 | — | — | EP | claimed |