Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 11/20 | 0.43 |
| ▸ | MMP9 | P14780 | 10/20 | 0.43 |
| ▸ | MMP1 | P03956 | 10/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8501551 | 0.88 | CYP3A4 (0.52) | MMP13MMP9MMP1ADAM17CYP3A4 | |
| SCHEMBL8498354 | 0.87 | MMP9 (0.50) | MMP13MMP9MMP1ADAM17CA12 | |
| SCHEMBL8502526 | 0.83 | MMP1 (0.46) | MMP13MMP9MMP1ADAM17CA12 | |
| SCHEMBL8499613 | 0.75 | MMP9 (0.48) | MMP13MMP9MMP1ADAM17PKM | |
| SCHEMBL8527273 | 0.74 | MMP9 (0.50) | MMP13MMP9MMP1ADAM17CA12 | |
| SCHEMBL7081271 | 0.74 | NPSR1 (0.42) | — | |
| SCHEMBL8500462 | 0.69 | THRB (0.39) | MMP13MMP9MMP1ADAM17CYP3A4 | |
| SCHEMBL2105715 | 0.69 | APP (0.40) | MMP13MMP9MMP1ADAM17CYP3A4 | |
| SCHEMBL8498339 | 0.69 | MMP9 (0.48) | MMP13MMP9MMP1ADAM17PKM | |
| SCHEMBL8501596 | 0.69 | MMP9 (0.44) | MMP13MMP9MMP1ADAM17PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0927161-A1 | SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS | THE PROCTER & GAMBLE COMPANY (US) | 1999-07-07 | — | — | EP | disclosed |
| WO-1998008815-A1 | SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS | THE PROCTER & GAMBLE COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |