Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 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 | |
|---|---|---|---|---|
| SCHEMBL23242561 | 0.93 | ALDH1A1 (0.49) | SMN1; SMN2MAPTALDH1A1L3MBTL1TDP1 | |
| SCHEMBL30811612 | 0.83 | PARP1 (0.45) | SMN1; SMN2MAPTALDH1A1L3MBTL1PARP1 | |
| SCHEMBL27344505 | 0.83 | PARP1 (0.45) | SMN1; SMN2MAPTALDH1A1L3MBTL1PARP1 | |
| SCHEMBL29800317 | 0.81 | LMNA (0.46) | SMN1; SMN2MAPTALDH1A1L3MBTL1TDP1 | |
| SCHEMBL23242534 | 0.81 | LMNA (0.46) | SMN1; SMN2MAPTALDH1A1L3MBTL1TDP1 | |
| SCHEMBL23242549 | 0.79 | MAPT (0.56) | SMN1; SMN2MAPTALDH1A1L3MBTL1TDP1 | |
| SCHEMBL13071140 | 0.77 | PARP1 (0.51) | SMN1; SMN2ALDH1A1PARP1ABL1KDM4E | |
| SCHEMBL23242598 | 0.76 | MAPT (0.48) | MAPTALDH1A1L3MBTL1TDP1POLB | |
| SCHEMBL31191639 | 0.76 | ALOX5 (0.59) | ALDH1A1PARP1KDM4EGAAHPGD | |
| SCHEMBL5327486 | 0.75 | MAOA (0.63) | SMN1; SMN2MAPTALDH1A1L3MBTL1PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114929688-A | 3- (4- (11H-dibenzo [ b, e ] [1,4] azepin-6-yl) piperazin-1-yl) -and 3- (4- (dibenzo [ b, f ] [1,4] oxazepin/thiazepin/diazepin-11-yl) piperazin-1-yl) -propionic acid derivatives as H1 and 5-HT 2A-receptor modulators for the treatment of sleep disorders | 阿莱瑞恩公司 | 2022-08-19 | — | — | CN | disclosed |