Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3579872 | 0.73 | ALDH1A1 (0.47) | ALDH1A1KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL13314749 | 0.72 | SMN1; SMN2 (0.50) | ALDH1A1KDM4EHSD17B10HPGDADORA2A | |
| SCHEMBL22258960 | 0.71 | CYP3A4 (0.41) | ALDH1A1KDM4EMAPTHPGDCYP3A4 | |
| SCHEMBL3588865 | 0.70 | KMT2A (0.45) | ALDH1A1KDM4EMEN1KMT2ARAB9A | |
| SCHEMBL22258773 | 0.70 | RAB9A (0.39) | ALDH1A1KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL23719268 | 0.68 | ADORA3 (0.51) | MAPTADORA2AADORA1EPHX2TSHR | |
| SCHEMBL13314757 | 0.68 | KMT2A (0.54) | ALDH1A1KDM4EEPHX2MEN1KMT2A | |
| SCHEMBL13314755 | 0.66 | JAK2 (0.44) | MAPTMEN1KMT2ARAB9A | |
| SCHEMBL13314750 | 0.66 | NPC1 (0.49) | ALDH1A1MAPTCYP3A4MEN1KMT2A | |
| SCHEMBL13314759 | 0.65 | MCL1 (0.54) | ALDH1A1USP2MAPTALOX15CYP3A4 |
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 |