Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 9/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8183089 | 0.91 | SMN1; SMN2 (0.47) | SLC9A1CYP2C9SMN1; SMN2CYP2C19CYP2D6 | |
| SCHEMBL27436629 | 0.87 | SMN1; SMN2 (0.51) | SLC9A1CYP2C9SMN1; SMN2KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL8503964 | 0.85 | SLC9A1 (0.49) | SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL8170154 | 0.84 | SMN1; SMN2 (0.46) | SLC9A1CYP2C9SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL8004583 | 0.81 | AOC3 (0.49) | SMN1; SMN2 | |
| SCHEMBL7995072 | 0.81 | ALDH1A1 (0.53) | SMN1; SMN2CYP3A4KDM4EMEN1ALDH1A1 | |
| SCHEMBL8831863 | 0.81 | SMN1; SMN2 (0.49) | SMN1; SMN2KDM4EMEN1ALDH1A1GAA | |
| SCHEMBL8767706 | 0.80 | SLC9A1 (0.53) | SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL8104657 | 0.80 | AOC3 (0.50) | SMN1; SMN2 | |
| SCHEMBL8207485 | 0.80 | ALDH1A1 (0.57) | SMN1; SMN2KDM4EMEN1ALDH1A1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6022883-A | Heterocyclyloxybenzoylguanidines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-02-08 | — | — | US | disclosed |
| US-5665739-A | CARDIOVASCULAR DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-09-09 | — | — | US | disclosed |
| EP-0694537-A1 | Heterocyclyloxy- benzoylguanidine derivatives, their preparation and their use as inhibitors of the cellular Na+/H+-antiporter | MERCK PATENT GmbH (DE) | 1996-01-31 | — | — | EP | disclosed |