Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.66 |
| ▸ | RAB9A | P51151 | 7/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.66 |
| ▸ | GAA | P10253 | 8/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.55 |
| ▸ | RELA | Q04206 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | STAT1 | P42224 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14047321 | 0.88 | NPC1 (0.77) | NPC1RAB9ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL8689148 | 0.80 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL8729336 | 0.78 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL12162658 | 0.76 | ALDH1A1 (0.59) | NPC1RAB9ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL13214814 | 0.75 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL9133379 | 0.75 | GAA (0.74) | NPC1RAB9ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL2792239 | 0.74 | MAPK1 (0.69) | NPC1RAB9ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL11114010 | 0.73 | NPC1 (0.76) | NPC1RAB9ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL2543169 | 0.73 | MAPK1 (0.70) | NPC1RAB9ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL17903805 | 0.72 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2GAAALDH1A1 |
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-1998043649-A2 | AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-08 | — | — | WO | disclosed |