Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.61 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | DRD3 | P35462 | 4/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15935937 | 0.99 | MIF (0.60) | MIFBCHEHRH3SPHK1DRD2 | |
| SCHEMBL15935885 | 0.96 | MIF (0.55) | MIFBCHEHRH3DRD2DRD3 | |
| SCHEMBL15935869 | 0.85 | SPHK1 (0.68) | MIFBCHESPHK1DRD2DRD3 | |
| SCHEMBL15935938 | 0.82 | SPHK1 (0.60) | MIFBCHESPHK1S1PR1CYP2D6 | |
| SCHEMBL15935883 | 0.81 | HRH3 (0.54) | HRH3HRH1CYP1A2CYP3A4 | |
| SCHEMBL15060974 | 0.80 | MIF (0.71) | MIFBCHESPHK1CA12CA1 | |
| SCHEMBL15923943 | 0.80 | MIF (0.71) | MIFBCHESPHK1CA12CA1 | |
| SCHEMBL15935905 | 0.79 | MIF (0.58) | MIFBCHESPHK1CA12CA1 | |
| SCHEMBL13527245 | 0.79 | MIF (0.69) | MIFBCHESPHK1CA12CA1 | |
| SCHEMBL15921650 | 0.78 | SPHK1 (0.68) | HRH3SPHK1HRH1CYP1A2CYP3A4 |
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-2014118556-A2 | SELECTIVE INHIBITORS AND ALLOSTERIC ACTIVATORS OF SPHINGOSINE KINASE | RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) | 2014-08-07 | — | — | WO | disclosed |