Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.37 |
| ▸ | TP53 | P04637 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 9/20 | 0.36 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.35 |
| ▸ | RELA | Q04206 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3408862 | 0.84 | NPC1 (0.43) | ABCG2MEN1KMT2AKDM4ERAB9A | |
| SCHEMBL3406823 | 0.83 | NPC1 (0.39) | SMN1; SMN2MAPTRAB9ANPC1GAA | |
| SCHEMBL3406534 | 0.83 | SYK (0.39) | ABCB1ABCG2IMPDH2 | |
| SCHEMBL3410560 | 0.83 | NPC1 (0.37) | MAPTABCG2RAB9ANPC1GAA | |
| SCHEMBL3412354 | 0.83 | PTGS2 (0.39) | SMN1; SMN2TP53MAPTKDM4EALDH1A1 | |
| SCHEMBL3409683 | 0.83 | KMT2A (0.40) | SMN1; SMN2TP53MAPTTDP1MEN1 | |
| SCHEMBL3409722 | 0.82 | PIK3CA (0.41) | SMN1; SMN2TP53MAPTRAB9ANPC1 | |
| SCHEMBL3412384 | 0.82 | AGPAT2 (0.41) | MAPTRAB9ANPC1GAA | |
| SCHEMBL3405215 | 0.82 | KCNH2 (0.37) | RAB9ANPC1IMPDH2 | |
| SCHEMBL3410112 | 0.81 | PSEN1 (0.36) | MAPTABCG2MEN1KMT2ARAB9A |
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-2257541-A1 | MODULATORS FOR AMYLOID BETA | F. Hoffmann-La Roche AG (CH) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009103652-A1 | MODULATORS FOR AMYLOID BETA | F. HOFFMANN-LA ROCHE AG (CH) | 2009-08-27 | — | — | WO | disclosed |