Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16921549 | 1.00 | CA12 (0.38) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL4675592 | 0.86 | ALDH1A1 (0.36) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL4675595 | 0.86 | ALDH1A1 (0.36) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL753146 | 0.81 | CNR2 (0.37) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL753145 | 0.81 | CNR2 (0.37) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL16921547 | 0.81 | CA12 (0.38) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL752081 | 0.81 | CA12 (0.38) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL754893 | 0.79 | KMT2A (0.50) | ALDH1A1HSP90AA1KMT2ATP53LMNA | |
| SCHEMBL2485045 | 0.79 | MAPK14 (0.42) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL2485043 | 0.79 | MAPK14 (0.42) | CA12CA1CA2CA9KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1422218-B1 | ANTIVIRAL AGENT | SHIONOGI & CO (JP) | 2012-03-21 | — | — | EP | disclosed |