Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 16/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL929816 | 0.82 | KIF11 (0.41) | KIF11CYP2C19HIF1ADNMT1CYP1A2 | |
| SCHEMBL6507709 | 0.80 | KIF11 (0.47) | KIF11DNMT1 | |
| SCHEMBL5528317 | 0.80 | CYP2C19 (0.42) | KIF11CYP2C19HIF1A | |
| SCHEMBL6363065 | 0.77 | CES2 (0.43) | KIF11CYP2C19HIF1A | |
| SCHEMBL8188401 | 0.77 | CHRM2 (0.47) | CYP2C19CYP1A2 | |
| SCHEMBL22966169 | 0.76 | CYP1A2 (0.44) | KIF11CYP2C19HIF1ADNMT1CYP1A2 | |
| SCHEMBL3188913 | 0.74 | CES2 (0.49) | KIF11 | |
| SCHEMBL27415070 | 0.72 | KIF11 (0.45) | KIF11CYP2C19HIF1ACYP1A2 | |
| Succinic Acid SCHEMBL7482968 | 0.72 | NR4A2 (0.45) | KIF11CYP2C19HIF1ADNMT1CYP1A2 | |
| Bromotriphenylmethane SCHEMBL5168812 | 0.70 | CYP2C19 (0.48) | PTPN1GSK3BKIF11CYP2C19HIF1A |
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-6770640-B1 | EMPHYSEMA | AVENTIS PHARMACEUTICALS INC. | 2004-08-03 | — | — | US | disclosed |
| CN-1150205-C | 3-mercaptoacetylamino-1,5-subsd. 2-oxo-azepon derivatives useful as inhibitor of metrix metalloproteinase | ���µ�˹ҩ�﹫˾ | 2004-05-19 | — | — | CN | disclosed |
| CN-1234039-A | 3-mercaptoacetylamino-1, 5-disubstituted-2-oxo-azepane derivatives as matrix metalloproteinase inhibitors | HOECHST MARION ROUSSEL INC (US) | 1999-11-03 | — | — | CN | disclosed |