Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.41 |
| ▸ | CDC42BPB | Q9Y5S2 | 3/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.39 |
| ▸ | USP2 | O75604 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8514162 | 0.93 | ROCK1 (0.38) | ROCK1CDC42BPBROCK2CYP2D6USP2 | |
| Trifluoroacetic Acid SCHEMBL8511708 | 0.91 | HDAC1 (0.39) | ROCK1CDC42BPBROCK2CYP2D6USP2 | |
| SCHEMBL9612706 | 0.86 | HTR7 (0.49) | HRH4HTR1AHTR7 | |
| SCHEMBL8514048 | 0.85 | CCR4 (0.45) | ROCK1CDC42BPBROCK2CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL8511327 | 0.84 | CCR4 (0.46) | ROCK1CDC42BPBROCK2CYP2D6CYP3A4 | |
| SCHEMBL8514182 | 0.82 | CCR4 (0.43) | ROCK1CDC42BPBROCK2CYP2D6CYP3A4 | |
| SCHEMBL8515164 | 0.80 | HRH4 (0.43) | HDAC1HRH4HTR1AHTR7 | |
| SCHEMBL8510961 | 0.79 | DKK1 (0.43) | HDAC1HRH4 | |
| SCHEMBL8510102 | 0.79 | PIM1 (0.46) | CYP2D6USP2CYP3A4TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL8513898 | 0.78 | PIM1 (0.46) | CYP2D6USP2CYP3A4TSHRALDH1A1 |
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 |