Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 6/20 | 0.45 |
| ▸ | MMP2 | P08253 | 6/20 | 0.45 |
| ▸ | MMP9 | P14780 | 6/20 | 0.45 |
| ▸ | MMP13 | P45452 | 6/20 | 0.45 |
| ▸ | MMP8 | P22894 | 5/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 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 | |
|---|---|---|---|---|
| SCHEMBL9906204 | 0.89 | MEN1 (0.52) | MMP1MMP2MMP9MMP13MMP8 | |
| SCHEMBL13558102 | 0.89 | MMP1 (0.47) | MMP1MMP2MMP9MMP13MMP8 | |
| SCHEMBL10384808 | 0.79 | BMP1 (0.49) | CA2KMT2AMEN1CA1ALDH1A1 | |
| SCHEMBL10385433 | 0.78 | BMP1 (0.49) | CA2KMT2AMEN1CA1ALDH1A1 | |
| SCHEMBL14421867 | 0.77 | MEN1 (0.56) | CA2CA7KMT2AMEN1CA1 | |
| SCHEMBL13558569 | 0.74 | ALDH1A1 (0.48) | CA9CA2CA7KMT2AMEN1 | |
| SCHEMBL8141815 | 0.74 | CA9 (0.47) | MMP1MMP2MMP9MMP13MMP8 | |
| SCHEMBL8141494 | 0.71 | TDP1 (0.72) | MMP1MMP2MMP9MMP13CA2 | |
| SCHEMBL8141491 | 0.71 | TDP1 (0.72) | MMP1MMP2MMP9MMP13CA2 | |
| SCHEMBL8634136 | 0.69 | GLA (0.56) | CA9CA2CA7CA1RAB9A |
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-8198101-B2 | Bifunctional polyazamacrocyclic chelating agents | NORDION (CANADA) INC. (CA) | 2012-06-12 | — | — | US | disclosed |