Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RARA | P10276 | 11/20 | 0.42 |
| ▸ | RARB | P10826 | 11/20 | 0.42 |
| ▸ | QDPR | P09417 | 2/20 | 0.41 |
| ▸ | RARG | P13631 | 10/20 | 0.41 |
| ▸ | RXRA | P19793 | 3/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.36 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8511656 | 0.86 | WNT3A (0.47) | NAMPT | |
| SCHEMBL8511705 | 0.79 | WNT3A (0.51) | NAMPT | |
| SCHEMBL18961191 | 0.75 | RARA (0.47) | RARARARBRARGRXRAABCB1 | |
| Trifluoroacetic Acid SCHEMBL8654933 | 0.74 | WNT3A (0.40) | RARARARBQDPRRARGRXRA | |
| SCHEMBL22324995 | 0.74 | QDPR (0.50) | ALDH1A1SMN1; SMN2QDPRLNPEP | |
| SCHEMBL8511475 | 0.73 | QDPR (0.43) | RARARARBQDPR | |
| SCHEMBL15025632 | 0.73 | CCR1 (0.49) | ALDH1A1SMN1; SMN2QDPRNAMPT | |
| SCHEMBL10475873 | 0.73 | SMN1; SMN2 (0.49) | ALDH1A1SMN1; SMN2QDPRNAMPTLNPEP | |
| SCHEMBL16998453 | 0.73 | CCR1 (0.50) | RARARARBRARGRXRAABCB1 | |
| SCHEMBL16998862 | 0.72 | RARB (0.55) | RARARARBRARGRXRAABCB1 |
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-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | disclosed |