Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP7 | P09237 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 7/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14675663 | 0.73 | MMP1 (0.51) | MMP1MMP2MMP3MMP7MMP9 | |
| SCHEMBL3071850 | 0.68 | KIF11 (0.50) | MMP1MMP2MMP3MMP7MMP9 | |
| SCHEMBL15946356 | 0.68 | ALDH1A1 (0.56) | MMP1MMP2MMP3MMP7MMP9 | |
| SCHEMBL12054697 | 0.68 | CA1 (0.53) | MMP1MMP2MMP3MMP7MMP9 | |
| SCHEMBL13485833 | 0.67 | KIF11 (0.59) | MMP1MMP2MMP3MMP7MMP9 | |
| SCHEMBL418659 | 0.65 | KIF11 (0.55) | MMP1MMP2MMP3MMP7MMP9 | |
| SCHEMBL14675960 | 0.63 | ADAMTS4 (0.54) | MMP1MMP2MMP3MMP7MMP9 | |
| SCHEMBL14676837 | 0.62 | HSD11B1 (0.60) | — | |
| SCHEMBL20997841 | 0.62 | KIF11 (0.37) | KIF11CA1CA2ALDH1A1 | |
| SCHEMBL14676772 | 0.62 | ALDH1A1 (0.58) | CA1CA2SLC1A2ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012064943-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |