Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | ITK | Q08881 | 6/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22258787 | 0.84 | ITK (0.46) | ITKKDM4EALDH1A1SYK | |
| SCHEMBL22258959 | 0.82 | PIP5K1C (0.48) | DRD2ITKRIPK1KDM4ESYK | |
| SCHEMBL5754644 | 0.80 | KDM4E (0.47) | ITKKDM4EALDH1A1 | |
| SCHEMBL15662058 | 0.80 | SMN1; SMN2 (0.47) | HDAC3HDAC1HDAC2KDM4EALDH1A1 | |
| SCHEMBL6487335 | 0.79 | ITK (0.49) | ITKKDM4EHSD17B10 | |
| SCHEMBL5759131 | 0.78 | ITK (0.48) | ITKSYK | |
| SCHEMBL5759232 | 0.77 | ITK (0.49) | DRD2DRD3ITKRIPK1HDAC3 | |
| SCHEMBL16627858 | 0.75 | DRD2 (0.58) | DRD2DRD3HDAC3HDAC1HDAC2 | |
| SCHEMBL13753861 | 0.73 | DRD2 (0.84) | DRD2DRD3HDAC3HDAC1HDAC2 | |
| SCHEMBL5952720 | 0.72 | HPSE (0.42) | KDM4EALDH1A1 |
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-2020150545-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY | SAMUMED, LLC (US) | 2020-07-23 | — | — | WO | disclosed |