Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.39 |
| ▸ | PPARA | Q07869 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL28794540 | 1.00 | ALOX15 (0.45) | ALOX15TSHRALDH1A1NPC1RAB9A | |
| SCHEMBL20548928 | 0.94 | ALDH1A1 (0.49) | ALOX15TSHRALDH1A1NPC1RAB9A | |
| SCHEMBL436740 | 0.85 | ALDH1A1 (0.52) | TSHRALDH1A1SMN1; SMN2L3MBTL1GAA | |
| SCHEMBL8838858 | 0.85 | ALDH1A1 (0.52) | TSHRALDH1A1SMN1; SMN2L3MBTL1GAA | |
| SCHEMBL923829 | 0.84 | TDP1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2CES2 | |
| SCHEMBL29733565 | 0.84 | TDP1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2CES2 | |
| SCHEMBL516874 | 0.84 | TDP1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2CES2 | |
| SCHEMBL6659868 | 0.84 | ALDH1A1 (0.50) | TSHRALDH1A1SMN1; SMN2L3MBTL1CES2 | |
| SCHEMBL6658799 | 0.84 | ALDH1A1 (0.50) | TSHRALDH1A1SMN1; SMN2L3MBTL1CES2 | |
| Water SCHEMBL27446036 | 0.84 | ALDH1A1 (0.50) | TSHRALDH1A1SMN1; SMN2L3MBTL1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114763339-A | Process for the preparation of triazine derivatives | 江苏恒瑞医药股份有限公司 | 2022-07-19 | — | — | CN | claimed |
| CN-114698375-B | Process for preparing 2-cyanoethyl (4S) -4- (4-cyano-2-methoxyphenyl) -5-ethoxy-2, 8-dimethyl-1, 4-dihydro-1, 6-naphthyridine-3-carboxylate | 拜耳公司 | 2024-08-02 | — | — | CN | disclosed |
| CN-114698375-A | Method for preparing 2-cyanoethyl (4S) -4- (4-cyano-2-methoxyphenyl) -5-ethoxy-2, 8-dimethyl-1, 4-dihydro-1, 6-naphthyridine-3-carboxylic ester by splitting racemic modification from diastereomeric tartrate | 拜耳公司 | 2022-07-01 | — | — | CN | disclosed |