Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | DKK1 | O94907 | 3/20 | 0.39 |
| ▸ | MYLK4 | Q86YV6 | 3/20 | 0.38 |
| ▸ | STK17A | Q9UEE5 | 3/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | UBE2N | P61088 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 SCHEMBL8511182 | 0.99 | ADRB1 (0.41) | ADRB1ROCK2PIK3CADKK1MYLK4 | |
| SCHEMBL8511972 | 0.84 | DKK1 (0.39) | ROCK2PIK3CADKK1CLK4 | |
| Hydrochloric Acid SCHEMBL8514429 | 0.83 | DKK1 (0.38) | ROCK2PIK3CADKK1CLK4 | |
| SCHEMBL8515183 | 0.81 | ACHE (0.48) | PIK3CATBK1 | |
| SCHEMBL8515830 | 0.78 | PRKD1 (0.45) | ADRB1ROCK2PIK3CADKK1MYLK4 | |
| SCHEMBL8511790 | 0.78 | ROCK2 (0.41) | ADRB1ROCK2PIK3CADKK1MYLK4 | |
| Hydrochloric Acid SCHEMBL8512525 | 0.77 | ROCK2 (0.41) | ADRB1ROCK2DKK1MYLK4STK17A | |
| Hydrochloric Acid SCHEMBL8511580 | 0.77 | ROCK2 (0.41) | ADRB1ROCK2DKK1MYLK4STK17A | |
| SCHEMBL8511121 | 0.76 | KMO (0.46) | ADRB1ROCK2DKK1MYLK4STK17A | |
| SCHEMBL8515459 | 0.76 | PRKD1 (0.46) | ADRB1ROCK2DKK1MYLK4STK17A |
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 |