Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14127160 | 0.81 | CES2 (0.56) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL16953851 | 0.80 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL20659157 | 0.78 | SMN1; SMN2 (0.50) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL9221536 | 0.78 | CES2 (0.59) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL23429108 | 0.77 | CES2 (0.52) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL12077513 | 0.77 | CES2 (0.52) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL22485615 | 0.77 | CES2 (0.52) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL5792449 | 0.77 | CES2 (0.52) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL13461 | 0.77 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL4763522 | 0.77 | ALDH1A1 (0.60) | CES2CES1ALDH1A1ALOX15GAA |
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-101448836-B | Pyridopyrimidinone derivatives | HOFFMAN-LA ROCHE LTD. (CH) | 2011-12-14 | — | — | CN | disclosed |
| CN-101641358-A | Aza-pyridopyrimidinone derivatives | HOFFMANN LA ROCHE CH | 2010-02-03 | — | — | CN | disclosed |
| CN-101600701-A | Arylsulfonamide derivatives and methods of use thereof | WYETH CORP (US) | 2009-12-09 | — | — | CN | disclosed |
| CN-101448836-A | Pyridopyrimidinone derivatives | HOFFMANN LA ROCHE (CH) | 2009-06-03 | — | — | CN | disclosed |
| CN-100415725-C | Pyrimidine compound and application thereof | SUMITOMO CHEMICAL CO (JP) | 2008-09-03 | — | — | CN | disclosed |
| EP-1366026-B1 | PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2004-12-01 | — | — | EP | disclosed |
| CN-1478082-A | Pyrimidine compound and application thereof | ס�ѻ�ѧ��ҵ��ʽ���� | 2004-02-25 | — | — | CN | disclosed |