Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CASP9 | P55211 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | BUB1 | O43683 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | 0.89 | CASP3 (0.43) | CASP3CASP7CASP9ALDH1A1SMN1; SMN2 | |
| SCHEMBL21350302 | 0.85 | TBXAS1 (0.41) | ALDH1A1KDM4EMAPTHPGDFFAR1 | |
| SCHEMBL21350902 | 0.85 | SLC22A12 (0.41) | CASP3CASP7CASP9ALDH1A1SMN1; SMN2 | |
| SCHEMBL21350514 | 0.85 | SLC22A12 (0.53) | CASP3CASP7CASP9ALDH1A1SMN1; SMN2 | |
| SCHEMBL21350306 | 0.82 | KDM4E (0.37) | ALDH1A1SMN1; SMN2KDM4ENPC1LMNA | |
| SCHEMBL21350909 | 0.82 | CYP4F2 (0.50) | ALDH1A1SMN1; SMN2LMNAMAPTFFAR1 | |
| SCHEMBL21350903 | 0.81 | PPARA (0.39) | SMN1; SMN2MAPK1FFAR1TSHR | |
| SCHEMBL21350741 | 0.80 | SLC22A12 (0.43) | ALDH1A1SMN1; SMN2KDM4ELMNAMAPT | |
| SCHEMBL28415061 | 0.78 | L3MBTL1 (0.44) | ALDH1A1SMN1; SMN2KDM4EMAPTHPGD | |
| SCHEMBL21350750 | 0.77 | PTGDR2 (0.45) | ALDH1A1SMN1; SMN2KDM4EHPGD |
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 |