Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RARB | P10826 | 8/20 | 0.50 |
| ▸ | RARA | P10276 | 8/20 | 0.50 |
| ▸ | RARG | P13631 | 8/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8511483 | 0.84 | RARB (0.46) | NPC1RARBRARARARGKMT2A | |
| SCHEMBL8512804 | 0.84 | RARA (0.49) | NPC1RARBRARARARGKMT2A | |
| SCHEMBL8515301 | 0.84 | NPC1 (0.40) | NPC1RARBRARA | |
| SCHEMBL8515254 | 0.83 | RARB (0.51) | NPC1RARBRARARARGKMT2A | |
| SCHEMBL31060783 | 0.83 | RARB (0.51) | NPC1RARBRARARARGKMT2A | |
| SCHEMBL9612772 | 0.82 | RARB (0.47) | NPC1RARBRARARARGKMT2A | |
| SCHEMBL8511696 | 0.82 | RARB (0.44) | NPC1RARBRARARARGKMT2A | |
| Hydrochloric Acid SCHEMBL8515237 | 0.81 | RARB (0.44) | NPC1RARBRARARARGKMT2A | |
| SCHEMBL8512658 | 0.81 | RARA (0.44) | NPC1RARBRARARARGRXRA | |
| SCHEMBL8510213 | 0.81 | RARA (0.50) | RARBRARARARGPOLBKDM4E |
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 | disclosed |
| WO-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | disclosed |