Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.41 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 3/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | CKS1B | P61024 | 2/20 | 0.37 |
| ▸ | SKP1 | P63208 | 2/20 | 0.37 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL8515012 | 0.93 | XDH (0.39) | XDHHMOX1USP2HPGDSMN1; SMN2 | |
| SCHEMBL8511963 | 0.84 | HRH3 (0.45) | XDHUSP2ACACBALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL8511187 | 0.83 | HRH3 (0.44) | XDHUSP2ACACBALDH1A1TSHR | |
| SCHEMBL8511517 | 0.80 | CYP1A2 (0.40) | XDHUSP2ALDH1A1TSHRPIK3CD | |
| SCHEMBL8514719 | 0.76 | HRH3 (0.45) | XDHUSP2ACACBALDH1A1TSHR | |
| SCHEMBL8515197 | 0.76 | RARB (0.42) | USP2HPGDSMN1; SMN2ACACBALDH1A1 | |
| Hydrochloric Acid SCHEMBL8514774 | 0.75 | HRH3 (0.44) | XDHUSP2ACACBALDH1A1TSHR | |
| SCHEMBL8515116 | 0.73 | CYP1A2 (0.40) | XDHUSP2ALDH1A1TSHRPIK3CD | |
| SCHEMBL8514151 | 0.72 | CYP1A2 (0.40) | XDHUSP2ALDH1A1TSHRPIK3CD | |
| SCHEMBL4334757 | 0.69 | TRPV1 (0.51) | CKS1BSKP1SKP2 |
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 |