Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | GAK | O14976 | 1/20 | 0.41 |
| ▸ | GALR2 | O43603 | 1/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.39 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 3/20 | 0.35 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3404327 | 0.93 | DHODH (0.43) | ABCB1ABCC1ABCG2DHODHGAK | |
| SCHEMBL3410953 | 0.93 | ABCB1 (0.44) | ABCB1ABCC1ABCG2DHODHGAK | |
| SCHEMBL3404287 | 0.91 | GALR2 (0.41) | ABCB1ABCC1ABCG2GAKGALR2 | |
| SCHEMBL3409746 | 0.91 | TP53 (0.47) | ABCB1ABCC1ABCG2PSEN1PSEN2 | |
| SCHEMBL3412202 | 0.91 | MAPT (0.42) | ABCB1ABCC1ABCG2GAKGALR2 | |
| SCHEMBL3410067 | 0.87 | IGF1R (0.47) | ABCB1ABCC1ABCG2GAKGALR2 | |
| SCHEMBL3413181 | 0.86 | TP53 (0.48) | ABCB1ABCC1ABCG2PSEN1PSEN2 | |
| SCHEMBL3406352 | 0.81 | BRAF (0.46) | ABCB1ABCC1ABCG2PSEN1PSEN2 | |
| SCHEMBL3407803 | 0.81 | IGF1R (0.43) | ABCB1ABCC1ABCG2GALR2BRAF | |
| SCHEMBL3409749 | 0.81 | IMPDH2 (0.42) | ABCB1ABCC1ABCG2GAKPSEN1 |
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 |