Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 12/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3410260 | 0.88 | NPC1 (0.53) | IMPDH2ABCG2NPC1RAB9ADOT1L | |
| SCHEMBL3411066 | 0.87 | NPC1 (0.47) | IMPDH2NPC1RAB9ADOT1LKCNH2 | |
| SCHEMBL3406068 | 0.84 | NPC1 (0.46) | IMPDH2ABCG2NPC1RAB9ADOT1L | |
| SCHEMBL3408093 | 0.83 | PSEN1 (0.44) | IMPDH2ABCB1ABCC1ABCG2NPC1 | |
| SCHEMBL3407955 | 0.83 | NPC1 (0.51) | IMPDH2ABCG2NPC1RAB9ADOT1L | |
| SCHEMBL3406191 | 0.82 | IMPDH2 (0.45) | IMPDH2 | |
| SCHEMBL3410316 | 0.81 | IMPDH2 (0.44) | IMPDH2ABCG2NPC1RAB9ADOT1L | |
| SCHEMBL3406232 | 0.80 | NPC1 (0.41) | IMPDH2NPC1RAB9ADOT1LKCNH2 | |
| SCHEMBL3408862 | 0.80 | NPC1 (0.43) | IMPDH2ABCG2NPC1RAB9ADOT1L | |
| SCHEMBL3407100 | 0.80 | MAPT (0.48) | — |
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 |