Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 3/20 | 0.36 |
| ▸ | CTSK | P43235 | 3/20 | 0.36 |
| ▸ | PRKCH | P24723 | 1/20 | 0.34 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | GAK | O14976 | 1/20 | 0.34 |
| ▸ | DKK1 | O94907 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 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) | KMOLRRK2PRKCHPRKCEDKK1 | |
| Hydrochloric Acid SCHEMBL8512525 | 0.86 | ROCK2 (0.41) | KMOLRRK2PRKCHPRKCEDKK1 | |
| Hydrochloric Acid SCHEMBL8511580 | 0.86 | ROCK2 (0.41) | KMOLRRK2PRKCHPRKCEDKK1 | |
| SCHEMBL8514539 | 0.84 | KMO (0.45) | KMOLRRK2MTORCTSSCTSK | |
| SCHEMBL8510840 | 0.83 | KMO (0.43) | KMOLRRK2MTORDKK1 | |
| SCHEMBL8510734 | 0.83 | ZAP70 (0.41) | KMOLRRK2DKK1PRKD1 | |
| SCHEMBL8510739 | 0.83 | ZAP70 (0.41) | KMOLRRK2DKK1PRKD1 | |
| SCHEMBL8514660 | 0.81 | KMO (0.38) | KMOLRRK2MTORCTSSCTSK | |
| SCHEMBL8510671 | 0.81 | DKK1 (0.44) | KMOLRRK2MTORDKK1 | |
| SCHEMBL8514119 | 0.80 | SYK (0.35) | DKK1 |
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 |