Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | ACE | P12821 | 8/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20122458 | 0.84 | ACE (0.47) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL11330585 | 0.83 | KDM4E (0.53) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL24359900 | 0.83 | KDM4E (0.53) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL11337774 | 0.82 | CPB2 (0.36) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL26948298 | 0.80 | ACE (0.50) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL20122409 | 0.80 | KDM4E (0.44) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL9324856 | 0.78 | KDM4E (0.61) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL6661780 | 0.78 | KDM4E (0.61) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL6661779 | 0.78 | KDM4E (0.61) | KDM4EMAPTTHRBALOX15NFKB1 | |
| Bucillamine SCHEMBL930021 | 0.77 | MAPT (0.59) | KDM4EMAPTTHRBALOX15NFKB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9963428-B1 | Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2018-05-08 | — | — | US | disclosed |