Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL361888 | 0.80 | CA12 (0.46) | ALDH1A1HTTNPC1RAB9ARECQL | |
| SCHEMBL11445653 | 0.79 | KDM4E (0.48) | ALDH1A1NPC1RAB9ARECQLKDM4E | |
| SCHEMBL621587 | 0.79 | CA12 (0.47) | ALDH1A1HTTL3MBTL1KMT2AMEN1 | |
| SCHEMBL362429 | 0.78 | CYP19A1 (0.38) | ALDH1A1RAB9ARECQLGAAMAPT | |
| SCHEMBL2419818 | 0.78 | ALDH1A1 (0.43) | ALDH1A1HTTNPC1RAB9ARECQL | |
| SCHEMBL2417572 | 0.77 | NPC1 (0.46) | ALDH1A1HTTNPC1RAB9ARECQL | |
| SCHEMBL17668972 | 0.77 | ALDH1A1 (0.56) | ALDH1A1HTTNPC1RAB9ARECQL | |
| SCHEMBL15990162 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HTTNPC1RAB9ARECQL | |
| SCHEMBL2418012 | 0.76 | RAB9A (0.50) | ALDH1A1HTTNPC1RAB9ARECQL | |
| SCHEMBL2419186 | 0.76 | NPC1 (0.50) | ALDH1A1HTTNPC1RAB9ARECQL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593461-A1 | COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | Bristol-Myers Squibb Company (US) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012009309-A1 | COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-01-19 | — | — | WO | disclosed |