Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK2 | P53671 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | BRD4 | O60885 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | PDE6D | O43924 | 1/20 | 0.46 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.45 |
| ▸ | ALPG | P10696 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5981532 | 0.89 | LIMK2 (0.63) | LIMK2HSD17B10BRD4ESR1ALDH1A1 | |
| SCHEMBL17621 | 0.89 | HSD17B10 (0.62) | LIMK2HSD17B10BRD4ESR1ALDH1A1 | |
| Iodide SCHEMBL28519464 | 0.87 | HSD17B10 (0.60) | LIMK2HSD17B10BRD4ESR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL233781 | 0.87 | HSD17B10 (0.60) | LIMK2HSD17B10BRD4ESR1ALDH1A1 | |
| Fluoride SCHEMBL10339918 | 0.87 | HSD17B10 (0.60) | LIMK2HSD17B10BRD4ESR1ALDH1A1 | |
| Bromide SCHEMBL811908 | 0.87 | HSD17B10 (0.60) | LIMK2HSD17B10BRD4ESR1ALDH1A1 | |
| Fluoride Ion SCHEMBL10906965 | 0.85 | LIMK2 (0.59) | LIMK2HSD17B10BRD4ESR1ALDH1A1 | |
| Fluoride SCHEMBL10906966 | 0.85 | LIMK2 (0.59) | LIMK2HSD17B10BRD4ESR1ALDH1A1 | |
| Bromide SCHEMBL811907 | 0.85 | LIMK2 (0.59) | LIMK2HSD17B10BRD4ESR1ALDH1A1 | |
| SCHEMBL3155427 | 0.84 | LIMK2 (0.59) | LIMK2HSD17B10BRD4ESR1ALDH1A1 |
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-5719169-A | CARDIOVASCULAR DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-02-17 | — | — | US | disclosed |
| EP-0640593-B1 | Substituted benzoylguanidines, process for their preparation, their use as medicine or in diagnostic and medicines containing them | HOECHST AG (DE) | 1997-12-29 | — | — | EP | disclosed |
| EP-0640593-A1 | Substituted benzoylguanidines, process for their preparation, their use as medicine or in diagnostic and medicines containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-03-01 | — | — | EP | disclosed |