Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 11/20 | 0.49 |
| ▸ | CA12 | O43570 | 5/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.47 |
| ▸ | RPA1 | P27694 | 1/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28826572 | 0.79 | TP53 (0.43) | ALPLCA12TP53HCAR2RPA1 | |
| SCHEMBL27806704 | 0.77 | ALPL (0.46) | ALPLCA12TP53HCAR2RPA1 | |
| SCHEMBL14342644 | 0.76 | PTGS2 (0.64) | ALPLCA12TP53HCAR2CA9 | |
| SCHEMBL14097075 | 0.73 | ALPL (0.52) | ALPLTP53 | |
| SCHEMBL29956218 | 0.72 | TP53 (0.48) | ALPLCA12TP53HCAR2RPA1 | |
| SCHEMBL7878964 | 0.71 | — | — | |
| SCHEMBL70577 | 0.71 | HCAR2 (0.59) | ALPLCA12TP53HCAR2HCAR3 | |
| SCHEMBL13614179 | 0.71 | HDAC3 (0.43) | ALPLTP53 | |
| SCHEMBL20641155 | 0.71 | PTGS1 (0.49) | TP53HCAR2PIN1 | |
| SCHEMBL20641154 | 0.71 | PTGS1 (0.49) | TP53HCAR2PIN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102414205-A | Isoxazole-pyrazole derivatives | HOFFMANN LA ROCHE | 2012-04-11 | — | — | CN | disclosed |