Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 7/20 | 0.36 |
| ▸ | CLK2 | P49760 | 5/20 | 0.36 |
| ▸ | CLK3 | P49761 | 4/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL22258478 | 0.99 | NPC1 (0.41) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL22258464 | 0.87 | DYRK1A (0.49) | DYRK1ACLK2CLK3HDAC1WNT1 | |
| SCHEMBL22258493 | 0.86 | KCNQ3 (0.44) | NPC1RAB9AKCNQ3KCNQ2TRPV1 | |
| SCHEMBL22258826 | 0.85 | KCNQ3 (0.41) | RAB9ASMN1; SMN2MAPTKCNQ3KCNQ2 | |
| SCHEMBL22258526 | 0.84 | DYRK1A (0.41) | RAB9ASMN1; SMN2MAPTKCNQ3KCNQ2 | |
| SCHEMBL22236109 | 0.83 | SMN1; SMN2 (0.54) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL22258494 | 0.83 | MAPT (0.41) | ALDH1A1RAB9ASMN1; SMN2MAPTKCNQ3 | |
| SCHEMBL22258489 | 0.83 | KCNQ3 (0.41) | ALDH1A1SMN1; SMN2MAPTKCNQ3KCNQ2 | |
| SCHEMBL22258448 | 0.82 | LMNA (0.46) | NPC1ALDH1A1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL22235835 | 0.82 | SMN1; SMN2 (0.56) | NPC1ALDH1A1RAB9ASMN1; SMN2MAPT |
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 |