Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL33 | O95760 | 2/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SCD5 | Q86SK9 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | GNRHR | P30968 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14837256 | 0.78 | IL33 (0.39) | IL33CXCR4LMNAPOLBKDM4E | |
| SCHEMBL327871 | 0.68 | CXCR4 (0.53) | CXCR4LMNAPOLBKDM4ENPC1 | |
| SCHEMBL13509614 | 0.66 | CXCR4 (0.54) | CXCR4LMNAPOLBKDM4ENPC1 | |
| SCHEMBL13508572 | 0.65 | CXCR4 (0.53) | CXCR4LMNAPOLBKDM4ENPC1 | |
| SCHEMBL13090356 | 0.65 | CXCR4 (0.50) | CXCR4LMNAPOLBKDM4ENPC1 | |
| SCHEMBL9465382 | 0.64 | CXCR4 (0.54) | CXCR4LMNAPOLBKDM4ENPC1 | |
| SCHEMBL13186652 | 0.64 | CXCR4 (0.52) | CXCR4LMNAPOLBKDM4ENPC1 | |
| SCHEMBL13995495 | 0.63 | CXCR4 (0.51) | CXCR4LMNAPOLBKDM4ENPC1 | |
| SCHEMBL21516720 | 0.63 | CXCR4 (0.42) | CXCR4LMNAPOLBKDM4ENPC1 | |
| SCHEMBL21516110 | 0.62 | CXCR4 (0.46) | CXCR4LMNAPOLBKDM4ENPC1 |
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-2017083242-A1 | INHIBITORS OF SUPPRESSION OF TUMORIGENCITY 2 (ST2) AND METHODS USING THE SAME | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-05-18 | — | — | WO | disclosed |