Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | MMP13 | P45452 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8525528 | 0.88 | MMP13 (0.43) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL8498354 | 0.88 | MMP9 (0.50) | ALDH1A1POLBMMP9MMP13MMP1 | |
| SCHEMBL8499613 | 0.76 | MMP9 (0.48) | PKMALDH1A1MMP9MMP13MMP1 | |
| SCHEMBL8527273 | 0.75 | MMP9 (0.50) | ALDH1A1MMP9MMP13MMP1ADAM17 | |
| SCHEMBL7081271 | 0.75 | NPSR1 (0.42) | NPSR1TP53 | |
| SCHEMBL9208624 | 0.71 | PKM (0.46) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL8500462 | 0.70 | THRB (0.39) | CYP3A4ALDH1A1HPGDNPSR1KMT2A | |
| SCHEMBL2105715 | 0.70 | APP (0.40) | CYP3A4CYP2C9CYP2C19ALDH1A1MMP9 | |
| SCHEMBL8989654 | 0.68 | KMT2A (0.44) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 | |
| SCHEMBL17393693 | 0.68 | CYP3A4 (0.48) | CYP3A4CYP2C9PKMCYP2C19ALDH1A1 |
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 |