Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 8/20 | 0.40 |
| ▸ | RARB | P10826 | 7/20 | 0.40 |
| ▸ | RARG | P13631 | 6/20 | 0.40 |
| ▸ | AKT1 | P31749 | 9/20 | 0.39 |
| ▸ | AKT2 | P31751 | 4/20 | 0.39 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8513591 | 0.96 | RARA (0.38) | RARARARBRARGAKT1AKT2 | |
| Hydrochloric Acid SCHEMBL8510905 | 0.95 | RARA (0.38) | RARARARBRARGAKT1AKT2 | |
| Trifluoroacetic Acid SCHEMBL8511940 | 0.89 | RARB (0.42) | RARARARBRARGAKT1RXRA | |
| SCHEMBL18961191 | 0.85 | RARA (0.47) | RARARARBRARGRXRA | |
| SCHEMBL8511696 | 0.84 | RARB (0.44) | RARARARBRARGAKT1AKT2 | |
| Hydrochloric Acid SCHEMBL8515237 | 0.83 | RARB (0.44) | RARARARBRARGAKT1AKT2 | |
| SCHEMBL16998655 | 0.82 | RARB (0.49) | RARARARBRARGRXRA | |
| SCHEMBL16998862 | 0.81 | RARB (0.55) | RARARARBRARGRXRA | |
| SCHEMBL8515374 | 0.80 | RARB (0.60) | RARARARBRARGAKT1AKT2 | |
| Hydrochloric Acid SCHEMBL8612658 | 0.79 | RARA (0.58) | RARARARBRARGAKT1AKT2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | claimed |
| WO-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | disclosed |