Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | CASP9 | P55211 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21350749 | 0.86 | CASP3 (0.43) | PDE10ACASP3CASP7CASP9KDM4E | |
| SCHEMBL21331848 | 0.86 | SLC22A12 (0.48) | SLC22A12KDM4EALDH1A1HPGD | |
| SCHEMBL21350303 | 0.85 | CASP3 (0.42) | PDE10ACASP3CASP7CASP9KDM4E | |
| SCHEMBL21350641 | 0.83 | CYP4F2 (0.47) | SLC22A12KDM4EL3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL21350904 | 0.82 | SLC22A12 (0.40) | SLC22A12KDM4EL3MBTL1 | |
| SCHEMBL21350514 | 0.82 | SLC22A12 (0.53) | SLC22A12PDE10ACASP3CASP7CASP9 | |
| SCHEMBL21350619 | 0.81 | KDM4E (0.47) | SLC22A12KDM4EL3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL28414576 | 0.78 | SLC22A12 (0.46) | SLC22A12 | |
| SCHEMBL21331844 | 0.78 | SLC22A12 (0.46) | SLC22A12KDM4EALDH1A1 | |
| SCHEMBL21350625 | 0.77 | SLC22A12 (0.45) | SLC22A12KDM4EL3MBTL1ALDH1A1SMN1; SMN2 |
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-2019169890-A1 | 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF | 南方医科大学 | 2019-09-12 | — | — | WO | disclosed |