Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | KHK | P50053 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 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 SCHEMBL8510076 | 0.99 | S1PR1 (0.41) | S1PR1HRH4ALDH1A1CYP1A2PIK3CA | |
| SCHEMBL8514773 | 0.83 | ADRB1 (0.43) | S1PR1ALDH1A1PIK3CACLK4ADRB1 | |
| Hydrochloric Acid SCHEMBL8514967 | 0.82 | ADRB1 (0.42) | S1PR1ALDH1A1CLK4ADRB1TBK1 | |
| SCHEMBL8512449 | 0.80 | PIK3CA (0.46) | PIK3CATLR9TLR7 | |
| SCHEMBL8511499 | 0.75 | S1PR1 (0.43) | S1PR1ALDH1A1PIM1PIM3PIM2 | |
| Hydrochloric Acid SCHEMBL8512803 | 0.74 | S1PR1 (0.42) | S1PR1ALDH1A1PIM1PIM3PIM2 | |
| SCHEMBL19124978 | 0.71 | CETP (0.56) | HRH4ALDH1A1CYP1A2USP2CYP3A4 | |
| SCHEMBL2035508 | 0.70 | HRH4 (0.43) | HRH4ALDH1A1CYP1A2PIK3CACYP3A4 | |
| SCHEMBL8511517 | 0.70 | CYP1A2 (0.40) | ALDH1A1CYP1A2PIK3CAUSP2CYP3A4 | |
| SCHEMBL8511790 | 0.68 | ROCK2 (0.41) | S1PR1ALDH1A1PIK3CACLK4LRRK2 |
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 | claimed |
| WO-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | disclosed |