Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 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 | |
|---|---|---|---|---|
| SCHEMBL12822285 | 0.82 | RAB9A (0.57) | SMN1; SMN2KDM4CALDH1A1RAB9ANPC1 | |
| SCHEMBL6240285 | 0.79 | SMN1; SMN2 (0.46) | SMN1; SMN2KDM4CALDH1A1RAB9ATAAR1 | |
| SCHEMBL9547521 | 0.79 | SMN1; SMN2 (0.56) | SMN1; SMN2KDM4CALDH1A1RAB9ATAAR1 | |
| SCHEMBL3483318 | 0.77 | — | — | |
| SCHEMBL11477612 | 0.75 | ALDH1A1 (0.55) | SMN1; SMN2ALDH1A1RAB9ANPC1GAA | |
| SCHEMBL12191262 | 0.75 | — | — | |
| SCHEMBL11765049 | 0.75 | — | — | |
| SCHEMBL29364207 | 0.74 | SMN1; SMN2 (0.49) | SMN1; SMN2KDM4CALDH1A1RAB9ATAAR1 | |
| SCHEMBL25528975 | 0.74 | TSHR (0.50) | SMN1; SMN2ALDH1A1RAB9ANPC1GAA | |
| SCHEMBL25681331 | 0.73 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1RAB9AKMT2AMEN1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102471274-B | For preparation method and the material of the substituted pyridine compounds of N- | 霍夫曼-拉罗奇有限公司 | 2016-08-03 | — | — | CN | claimed |
| CN-102471274-A | Process and materials for the preparation of N-substituted pyridine compounds | ROCHE DIAGNOSTICS GMBH | 2012-05-23 | — | — | CN | claimed |
| CN-103347858-B | Process and materials for preparing N-substituted pyridinium compounds | 霍夫曼-拉罗奇有限公司 | 2016-09-14 | — | — | CN | disclosed |
| CN-102471274-B | For preparation method and the material of the substituted pyridine compounds of N- | 霍夫曼-拉罗奇有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-102471272-B | Method and substances for preparation of N-substituted pyridinium compounds | HOFFMANN LA ROCHE | 2014-09-10 | — | — | CN | disclosed |
| CN-103347858-A | Process and materials for preparing N-substituted pyridinium compounds | HOFFMANN LA ROCHE | 2013-10-09 | — | — | CN | disclosed |
| CN-102471274-A | Process and materials for the preparation of N-substituted pyridine compounds | ROCHE DIAGNOSTICS GMBH | 2012-05-23 | — | — | CN | disclosed |
| CN-102471272-A | Process and materials for preparing N-substituted pyridinium compounds | HOFFMANN LA ROCHE | 2012-05-23 | — | — | CN | disclosed |
| CN-100528173-C | 4'-substituted nucleosides | HOFFMANN LA ROCHE (CH) | 2009-08-19 | — | — | CN | disclosed |
| CN-1516590-A | 4' -substituted nucleosides | - | 2004-07-28 | — | — | CN | disclosed |