Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28801419 | 0.83 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| Quinoxaline SCHEMBL27913231 | 0.79 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| SCHEMBL30731286 | 0.78 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| SCHEMBL222284 | 0.78 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| Quinoxaline SCHEMBL27907726 | 0.77 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| Hydrogen Sulfide SCHEMBL28270010 | 0.76 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| 2-Chloropyridine SCHEMBL27562267 | 0.74 | TDP1 (0.55) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| 1,2-Dichlorobenzene SCHEMBL27256387 | 0.73 | LMNA (0.43) | ALDH1A1KDM4ENPC1MAPTGAA | |
| SCHEMBL27706169 | 0.72 | PDE10A (0.58) | ALDH1A1SMN1; SMN2KDM4EMAPTCYP1A2 | |
| Naphthalene SCHEMBL27488215 | 0.72 | ALDH1A1 (0.40) | ALDH1A1KDM4EMAPTCYP1A2GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105073738-A | Quinoline and quinazoline amides as modulators of sodium channels | VERTEX PHARMA | 2015-11-18 | — | — | CN | disclosed |