Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8059411 | 0.93 | HDAC3 (0.39) | CCR2 | |
| SCHEMBL8061430 | 0.89 | MRGPRX1 (0.40) | CCR2 | |
| SCHEMBL8767698 | 0.86 | F2 (0.45) | — | |
| Hydrochloric Acid SCHEMBL8505884 | 0.85 | F2 (0.44) | — | |
| Hydrochloric Acid SCHEMBL8506593 | 0.84 | BRAF (0.43) | KMT2ACCR2 | |
| Hydrochloric Acid SCHEMBL8503960 | 0.84 | STK39 (0.45) | — | |
| SCHEMBL8445993 | 0.83 | ALDH1A1 (0.48) | ALDH1A1KMT2A | |
| SCHEMBL8059621 | 0.82 | SLC6A4 (0.43) | TSHRALDH1A1KMT2AHTTCCR2 | |
| Hydrochloric Acid SCHEMBL8070562 | 0.82 | ALDH1A1 (0.47) | ALDH1A1KMT2A | |
| SCHEMBL8075090 | 0.82 | CA1 (0.52) | CA2CA1CA9ALDH1A1KMT2A |
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-6057322-A | USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-05-02 | — | — | US | disclosed |
| EP-0723956-B1 | Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them | HOECHST AG (DE) | 1999-10-13 | — | — | EP | disclosed |
| EP-0723956-A1 | Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-07-31 | — | — | EP | disclosed |