Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.62 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | STK10 | O94804 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10329196 | 0.84 | BACE1 (0.65) | BACE1MAPK10MAPTALDH1A1RAB9A | |
| SCHEMBL10329099 | 0.84 | BACE1 (0.48) | BACE1MAPK14MAPK8MAPK10ALDH1A1 | |
| SCHEMBL10329325 | 0.80 | BACE1 (0.64) | BACE1MAPTALDH1A1MAPK1LMNA | |
| SCHEMBL10329305 | 0.77 | OPRM1 (0.39) | BACE1ALDH1A1L3MBTL1SMN1; SMN2RAB9A | |
| SCHEMBL10329054 | 0.75 | BACE1 (0.43) | BACE1BRD4 | |
| SCHEMBL10328565 | 0.75 | BACE1 (0.39) | BACE1ALDH1A1RXFP1MEN1KMT2A | |
| SCHEMBL10328996 | 0.74 | SMN1; SMN2 (0.40) | BACE1ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL17210697 | 0.74 | MGLL (0.47) | MAPTALDH1A1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL10328724 | 0.72 | KCNK3 (0.43) | BACE1MAPTL3MBTL1LMNARAB9A | |
| SCHEMBL10329193 | 0.72 | BACE1 (0.65) | BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016118404-A1 | IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2016-07-28 | — | — | WO | disclosed |