Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12075678 | 1.00 | SMN1; SMN2 (0.32) | SMN1; SMN2CA12CA1CA2MMP1 | |
| SCHEMBL14864784 | 1.00 | SMN1; SMN2 (0.32) | SMN1; SMN2CA12CA1CA2MMP1 | |
| SCHEMBL8760648 | 1.00 | SMN1; SMN2 (0.32) | SMN1; SMN2CA12CA1CA2MMP1 | |
| SCHEMBL12295329 | 1.00 | SMN1; SMN2 (0.32) | SMN1; SMN2CA12CA1CA2MMP1 | |
| SCHEMBL21426201 | 0.81 | CA1 (0.49) | CA12CA1CA2 | |
| SCHEMBL8755734 | 0.79 | SMN1; SMN2 (0.39) | SMN1; SMN2CA12CA1CA2MMP1 | |
| SCHEMBL8141423 | 0.79 | SMN1; SMN2 (0.39) | SMN1; SMN2CA12CA1CA2MMP1 | |
| SCHEMBL10125333 | 0.79 | SMN1; SMN2 (0.39) | SMN1; SMN2CA12CA1CA2MMP1 | |
| SCHEMBL25118258 | 0.77 | SMN1; SMN2 (0.33) | SMN1; SMN2CA12CA1CA2MMP1 | |
| SCHEMBL18117388 | 0.76 | SMN1; SMN2 (0.30) | SMN1; SMN2 |
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-2011091532-A1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |