Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | RARB | P10826 | 7/20 | 0.39 |
| ▸ | RARA | P10276 | 6/20 | 0.39 |
| ▸ | RARG | P13631 | 6/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 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 | |
|---|---|---|---|---|
| SCHEMBL8515840 | 0.91 | ROCK1 (0.41) | HDAC1KCNH2HDAC2ROCK2ROCK1 | |
| SCHEMBL8514162 | 0.85 | ROCK1 (0.38) | HDAC1KCNH2RARBRARARARG | |
| SCHEMBL9612706 | 0.78 | HTR7 (0.49) | HRH4 | |
| SCHEMBL8514048 | 0.77 | CCR4 (0.45) | HDAC1KCNH2RARBRARAROCK2 | |
| Hydrochloric Acid SCHEMBL8511327 | 0.77 | CCR4 (0.46) | HDAC1KCNH2RARBRARAROCK2 | |
| Trifluoroacetic Acid SCHEMBL8514827 | 0.75 | HTR7 (0.51) | RARBRARARARGRXRAUSP2 | |
| SCHEMBL8514182 | 0.75 | CCR4 (0.43) | HDAC1KCNH2RARBRARAROCK2 | |
| SCHEMBL8511358 | 0.74 | CYP11B2 (0.46) | HDAC1HDAC2CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL8654933 | 0.74 | WNT3A (0.40) | RARBRARARARGRXRA | |
| SCHEMBL8515164 | 0.73 | HRH4 (0.43) | HDAC1RARBRARARARGRXRA |
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 |