Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 8/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10329116 | 0.84 | BACE1 (0.46) | BACE1KDM4ECYP3A4NAMPTF10 | |
| SCHEMBL10329115 | 0.76 | BACE1 (0.51) | BACE1CYP3A4F10NPC1ALDH1A1 | |
| SCHEMBL16417260 | 0.76 | BACE1 (0.51) | BACE1CYP3A4F10NPC1ALDH1A1 | |
| SCHEMBL10329114 | 0.74 | BACE1 (0.49) | BACE1F10BACE2 | |
| SCHEMBL17850249 | 0.72 | BACE1 (0.53) | BACE1NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL12721360 | 0.71 | BACE1 (0.51) | BACE1BACE2KCNH2 | |
| SCHEMBL13466038 | 0.69 | BACE1 (0.64) | BACE1BACE2KCNH2 | |
| Verubecestat SCHEMBL10328791 | 0.67 | BACE1 (0.61) | BACE1BACE2KCNH2 | |
| SCHEMBL14734088 | 0.67 | BACE1 (0.66) | BACE1BACE2 | |
| Verubecestat SCHEMBL10328722 | 0.67 | BACE1 (0.66) | BACE1BACE2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3034080-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2016-06-22 | — | — | EP | disclosed |