Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8409031 | 0.84 | ITGB3 (0.55) | GAA | |
| SCHEMBL8714606 | 0.84 | POLB (0.49) | HRH3LTA4H | |
| SCHEMBL12156613 | 0.84 | SIGMAR1 (0.58) | GAAICAM1CXCR4LTA4HSLC6A4 | |
| SCHEMBL7659440 | 0.82 | ALDH1A1 (0.61) | — | |
| SCHEMBL6747206 | 0.82 | CXCR4 (0.65) | GAACXCR4 | |
| Hydrochloric Acid SCHEMBL6620535 | 0.81 | SLC6A4 (0.51) | GAAICAM1CXCR4LTA4HSLC6A4 | |
| Hydrochloric Acid SCHEMBL9537230 | 0.81 | BCHE (0.63) | GAACXCR4 | |
| SCHEMBL8103123 | 0.81 | SLC6A4 (0.51) | GAACXCR4SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL8407165 | 0.80 | SMN1; SMN2 (0.50) | GAA | |
| SCHEMBL23086760 | 0.80 | DRD2 (0.48) | GAAICAM1CXCR4LTA4HSLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5922763-A | ANTICOAGULANT; CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1999-07-13 | — | — | US | disclosed |
| US-5736559-A | CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS | KARL THOMAE GMBH (DE) | 1998-04-07 | — | — | US | disclosed |
| US-5597825-A | AGGREGATION INHIBITORS | DR. KARL THOMAE GMBH (DE) | 1997-01-28 | — | — | US | disclosed |
| EP-0496378-A1 | Biphenylderivatives, drugs containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1992-07-29 | — | — | EP | disclosed |