Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 11/20 | 0.39 |
| ▸ | NPC1 | O15118 | 10/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.35 |
| ▸ | PKM | P14618 | 4/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15693545 | 0.81 | BACE1 (0.66) | BACE1RAB9ANPC1SMN1; SMN2ALOX12 | |
| SCHEMBL18567787 | 0.76 | BACE1 (0.51) | BACE1 | |
| SCHEMBL18567809 | 0.74 | BACE1 (0.52) | BACE1BACE2 | |
| SCHEMBL18567381 | 0.72 | BACE1 (0.41) | BACE1BACE2 | |
| SCHEMBL18567273 | 0.72 | BACE1 (0.46) | BACE1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL18567406 | 0.70 | BACE1 (0.49) | BACE1BACE2 | |
| SCHEMBL18567390 | 0.70 | BACE1 (0.49) | BACE1BACE2HDAC6 | |
| SCHEMBL18567401 | 0.69 | BACE1 (0.50) | BACE1 | |
| SCHEMBL18567394 | 0.69 | BACE1 (0.46) | BACE1BACE2 | |
| SCHEMBL18567396 | 0.67 | BACE1 (0.52) | BACE1RAB9ANPC1KDM4EBACE2 |
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-2697210-B1 | 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2017-03-01 | — | — | EP | disclosed |