Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR4 | P51679 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | DKK1 | O94907 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
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 SCHEMBL8511327 | 0.99 | CCR4 (0.46) | CCR4CYP3A4CYP2D6TSHRDKK1 | |
| SCHEMBL8514182 | 0.97 | CCR4 (0.43) | CCR4CYP3A4CYP2D6TSHRDKK1 | |
| SCHEMBL8512407 | 0.87 | ADRB1 (0.44) | DKK1ROCK2ALDH1A1RARARARB | |
| Hydrochloric Acid SCHEMBL8512430 | 0.85 | ADRB1 (0.43) | DKK1ROCK2ALDH1A1RARARARB | |
| SCHEMBL8515840 | 0.85 | ROCK1 (0.41) | CCR4CYP3A4CYP2D6TSHRROCK1 | |
| SCHEMBL8510102 | 0.82 | PIM1 (0.46) | CYP3A4CYP2D6TSHRALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL8513898 | 0.81 | PIM1 (0.46) | CYP3A4CYP2D6TSHRALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL8514984 | 0.81 | TBK1 (0.42) | CCR4RARARARBKCNH2HDAC1 | |
| SCHEMBL8514868 | 0.80 | DKK1 (0.64) | DKK1ROCK2RARARARBPIK3CA | |
| Hydrochloric Acid SCHEMBL8511494 | 0.79 | DKK1 (0.63) | DKK1ROCK2RARARARBPIK3CA |
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 | claimed |