Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.35 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | CCR4 | P51679 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8511790 | 0.87 | ROCK2 (0.41) | ALDH1A1KMOLRRK2ROCK2S1PR1 | |
| Hydrochloric Acid SCHEMBL8511580 | 0.86 | ROCK2 (0.41) | ALDH1A1KMOLRRK2ROCK2S1PR1 | |
| Hydrochloric Acid SCHEMBL8512525 | 0.86 | ROCK2 (0.41) | ALDH1A1KMOLRRK2ROCK2S1PR1 | |
| SCHEMBL8514660 | 0.84 | KMO (0.38) | CYP2D6ALDH1A1HSD17B10CYP1A2KMO | |
| SCHEMBL8510230 | 0.84 | KARS1 (0.34) | LRRK2PIM1PIM3PIM2 | |
| SCHEMBL8510713 | 0.82 | KMO (0.39) | KMOLRRK2DKK1 | |
| SCHEMBL8510840 | 0.81 | KMO (0.43) | ALDH1A1HSD17B10CYP1A2KMOCYP3A4 | |
| SCHEMBL9612861 | 0.80 | S1PR1 (0.41) | KMOS1PR1DKK1 | |
| SCHEMBL8510739 | 0.79 | ZAP70 (0.41) | KMOLRRK2ROCK2ROCK1DKK1 | |
| SCHEMBL8510734 | 0.79 | ZAP70 (0.41) | KMOLRRK2ROCK2ROCK1DKK1 |
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 |