Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 12/20 | 0.50 |
| ▸ | RARB | P10826 | 11/20 | 0.50 |
| ▸ | RARG | P13631 | 11/20 | 0.43 |
| ▸ | RXRA | P19793 | 3/20 | 0.42 |
| ▸ | KMO | O15229 | 3/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8514253 | 0.81 | NPC1 (0.55) | RARARARBRARGRXRAABCB1 | |
| SCHEMBL2015591 | 0.79 | RARA (0.44) | RARARARBRARGRXRAABCB1 | |
| SCHEMBL18961191 | 0.79 | RARA (0.47) | RARARARBRARGRXRAABCB1 | |
| SCHEMBL8511483 | 0.76 | RARB (0.46) | RARARARBRARGRXRAKMO | |
| SCHEMBL8512804 | 0.76 | RARA (0.49) | RARARARBRARGKDM4EALDH1A1 | |
| SCHEMBL16998453 | 0.76 | CCR1 (0.50) | RARARARBRARGRXRAABCB1 | |
| SCHEMBL29666144 | 0.76 | KMO (0.35) | KMOKDM4EALDH1A1POLB | |
| SCHEMBL31060783 | 0.76 | RARB (0.51) | RARARARBRARGRXRAABCB1 | |
| SCHEMBL8515254 | 0.76 | RARB (0.51) | RARARARBRARGRXRAABCB1 | |
| SCHEMBL8512407 | 0.74 | ADRB1 (0.44) | RARARARBKDM4EALDH1A1POLB |
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 |