Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 13/20 | 0.62 |
| ▸ | CA12 | O43570 | 5/20 | 0.54 |
| ▸ | CA1 | P00915 | 5/20 | 0.54 |
| ▸ | CA2 | P00918 | 5/20 | 0.54 |
| ▸ | CA9 | Q16790 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19003451 | 0.87 | ACACB (0.61) | ACACBCA12CA1CA2CA9 | |
| SCHEMBL17366464 | 0.83 | CA12 (0.59) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL13907700 | 0.82 | ALDH1A1 (0.68) | ACACBCA12CA1CA2CA9 | |
| SCHEMBL4656567 | 0.81 | S1PR1 (0.60) | CA12CA1CA2CA9 | |
| SCHEMBL16234541 | 0.81 | CA12 (0.64) | CA12CA1CA2CA9L3MBTL1 | |
| SCHEMBL1541945 | 0.80 | CA1 (0.64) | ACACBCA12CA1CA2CA9 | |
| SCHEMBL13185193 | 0.80 | CA12 (0.67) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL5015557 | 0.80 | CA1 (0.59) | CA12CA1CA2CA9 | |
| SCHEMBL910539 | 0.80 | CA1 (0.62) | CA12CA1CA2CA9 | |
| SCHEMBL3174253 | 0.80 | CA1 (0.53) | CA12CA1CA2CA9 |
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-2611771-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | Boehringer Ingelheim International GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012028676-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-08 | — | — | WO | disclosed |