Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30501029 | 0.91 | MEN1 (0.45) | CA1CA2CA7CA9PDK2 | |
| SCHEMBL30501017 | 0.88 | PTGS2 (0.42) | PDK2ALDH1A1SMN1; SMN2MAPTKDM4E | |
| SCHEMBL14191206 | 0.83 | CA1 (0.50) | CA1CA2CA7CA9PDK2 | |
| SCHEMBL16766189 | 0.82 | PDK2 (0.45) | CA1CA2CA7CA9PDK2 | |
| SCHEMBL995711 | 0.82 | SMN1; SMN2 (0.46) | CA1CA2PDK2CA4ALDH1A1 | |
| SCHEMBL30749099 | 0.81 | PDK2 (0.59) | CA1CA2CA7CA9PDK2 | |
| SCHEMBL4824717 | 0.79 | TP53 (0.52) | CA1CA2CA7CA9PDK2 | |
| SCHEMBL17427508 | 0.76 | CA1 (0.41) | CA1CA2CA7CA9PDK2 | |
| SCHEMBL20127222 | 0.74 | NQO2 (0.42) | CA1CA2CA7CA9PDK2 | |
| SCHEMBL21345521 | 0.74 | NQO2 (0.42) | CA1CA2CA7CA9PDK2 |
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-2011006574-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2011-01-20 | — | — | WO | disclosed |