Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | DKK1 | O94907 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8514774 | 0.99 | HRH3 (0.44) | HRH3DKK1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL8511963 | 0.92 | HRH3 (0.45) | HRH3DKK1CYP1A2ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL8511187 | 0.91 | HRH3 (0.44) | HRH3DKK1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL8515116 | 0.87 | CYP1A2 (0.40) | CYP1A2ALDH1A1HSD17B10CYP3A4CLK4 | |
| SCHEMBL8514151 | 0.86 | CYP1A2 (0.40) | CYP1A2ALDH1A1HSD17B10CYP3A4CLK4 | |
| SCHEMBL8515012 | 0.84 | XDH (0.39) | CYP1A2ALDH1A1CYP3A4USP2PIK3CD | |
| SCHEMBL8511517 | 0.78 | CYP1A2 (0.40) | CYP1A2ALDH1A1HSD17B10CYP3A4CLK4 | |
| SCHEMBL8514728 | 0.76 | XDH (0.41) | ALDH1A1USP2PIK3CDPIK3CAHRH4 | |
| SCHEMBL8511419 | 0.72 | KARS1 (0.37) | CYP1A2HSD17B10HRH4KARS1 | |
| SCHEMBL2049616 | 0.72 | HRH3 (0.49) | HRH3DKK1CYP1A2ALDH1A1HSD17B10 |
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 |