Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 4/20 | 0.45 |
| ▸ | MMP13 | P45452 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP14 | P50281 | 2/20 | 0.44 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.44 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.44 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL14565746 | 0.89 | MMP2 (0.56) | MMP1MMP13MMP2MMP14ADAMTS4 | |
| SCHEMBL5445650 | 0.84 | ALDH1A1 (0.48) | ALDH1A1PKMHPGDALOX12MMP1 | |
| SCHEMBL5445643 | 0.84 | ALDH1A1 (0.51) | ALDH1A1PKMHPGDALOX12MMP1 | |
| SCHEMBL6557790 | 0.79 | MMP1 (0.50) | ALDH1A1PKMHPGDALOX12MMP1 | |
| SCHEMBL14378294 | 0.78 | CASP1 (0.48) | PKMMMP1MMP13MMP2MMP14 | |
| SCHEMBL6557786 | 0.76 | ALDH1A1 (0.48) | ALDH1A1PKMHPGDALOX12MMP1 | |
| SCHEMBL5445420 | 0.71 | MMP2 (0.61) | MMP1MMP13MMP2MMP14ADAMTS4 | |
| SCHEMBL5445424 | 0.71 | MMP2 (0.61) | ALDH1A1MMP1MMP13MMP2MMP14 | |
| SCHEMBL6558732 | 0.68 | MMP1 (0.50) | ALDH1A1HPGDMMP1MMP13MMP2 | |
| SCHEMBL6558726 | 0.67 | TBXAS1 (0.49) | ALDH1A1PKMMMP1MMP13MMP2 |
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-7196099-B2 | Compounds and compositions as cathepsin inhibitors | AVENTIS PHARMACEUTICALS INC. (US) | 2007-03-27 | — | — | US | disclosed |