Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | GPR34 | Q9UPC5 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 6/20 | 0.36 |
| ▸ | CA2 | P00918 | 6/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL8842690 | 0.95 | ALDH1A1 (0.40) | ALDH1A1MAOBKDM4ELMNAHDAC8 | |
| SCHEMBL8842421 | 0.94 | ALDH1A1 (0.43) | ALDH1A1MAOBKDM4ELMNAHDAC8 | |
| SCHEMBL8092343 | 0.89 | MAOB (0.41) | ALDH1A1MAOBMEN1KMT2AKCNH2 | |
| SCHEMBL8957358 | 0.88 | ITGB3 (0.45) | KDM4ECA1CA2CA12CA9 | |
| Caloxetic Acid Free Base SCHEMBL92689 | 0.83 | MAOB (0.43) | ALDH1A1MAOB | |
| Caloxetic Acid Free Base SCHEMBL8412091 | 0.83 | MAOB (0.43) | ALDH1A1MAOB | |
| SCHEMBL6140038 | 0.82 | MAOB (0.44) | ALDH1A1MAOBMEN1KMT2A | |
| SCHEMBL8957356 | 0.82 | ITGB3 (0.47) | KDM4EHDAC8MEN1KMT2A | |
| Caloxetic Acid Free Base SCHEMBL19667948 | 0.82 | MAOB (0.42) | ALDH1A1MAOB | |
| Caloxetic Acid Free Base SCHEMBL29375456 | 0.82 | MAOB (0.42) | ALDH1A1MAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5693309-A | Substituted complexing agents, complexes, and complex salts, processes for their production, and pharmaceuticals containing same | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-12-02 | — | — | US | disclosed |
| US-5482700-A | Substituted polyamino, polycarboxy complexing agent dimers for MRI and X-ray contrast | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-01-09 | — | — | US | disclosed |