Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29172556 | 0.95 | ALDH1A1 (0.46) | ALDH1A1MAPTNPSR1HTTLMNA | |
| SCHEMBL1094230 | 0.83 | CYP2A6 (0.50) | ALDH1A1MAPTHTTLMNACYP2A6 | |
| SCHEMBL12794530 | 0.80 | PLAU (0.47) | ALDH1A1MAPTNPSR1HTTLMNA | |
| SCHEMBL20123201 | 0.79 | CYP2A6 (0.43) | ALDH1A1MAPTHTTLMNACYP2A6 | |
| SCHEMBL28006480 | 0.74 | PLAU (0.56) | ALDH1A1MAPTNPSR1HTTLMNA | |
| SCHEMBL5136561 | 0.74 | ALDH1A1 (0.58) | ALDH1A1MAPTNPSR1HTTLMNA | |
| SCHEMBL9027635 | 0.73 | L3MBTL1 (0.47) | ALDH1A1MAPTHTTLMNACYP2A6 | |
| SCHEMBL11612248 | 0.73 | CYP2A6 (0.55) | ALDH1A1MAPTNPSR1LMNACYP2A6 | |
| SCHEMBL2607673 | 0.73 | TLR8 (0.50) | ALDH1A1MAPTNPSR1HTTLMNA | |
| SCHEMBL16334477 | 0.71 | MAPT (0.43) | ALDH1A1MAPTNPSR1HTTLMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1113870-C | Preparation method of butylthio-isoquinoline and intermediate thereof | HOFFMANN LA ROCHE (CH) | 2003-07-09 | — | — | CN | disclosed |
| CN-1113870-C | Preparation method of butylthio-isoquinoline and intermediate thereof | HOFFMANN LA ROCHE (CH) | 2003-07-09 | — | — | CN | disclosed |
| EP-0975601-B1 | PROCESS FOR MAKING A BUTYLTHIO-ISOQUINOLINE AND INTERMEDIATES THEREFOR | HOFFMANN LA ROCHE (CH) | 2003-03-12 | — | — | EP | disclosed |
| CN-1252058-A | Preparation of butylthio-isoquinoline and intermediate thereof | HOFFMANN LA ROCHE (CH) | 2000-05-03 | — | — | CN | disclosed |
| CN-1252058-A | Preparation of butylthio-isoquinoline and intermediate thereof | HOFFMANN LA ROCHE (CH) | 2000-05-03 | — | — | CN | disclosed |
| EP-0975601-A1 | PROCESS FOR MAKING A BUTYLTHIO-ISOQUINOLINE AND INTERMEDIATES THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998045271-A1 | PROCESS FOR MAKING A BUTYLTHIO-ISOQUINOLINE AND INTERMEDIATES THEREFOR | F. HOFFMAN-LA ROCHE AG (CH) | 1998-10-15 | — | — | WO | disclosed |