Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | PTPRA | P18433 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30047139 | 0.85 | CYP2C19 (0.60) | ALDH1A1CYP1A2KDM4ENPSR1CYP2C19 | |
| SCHEMBL6475519 | 0.80 | SLC6A2 (0.48) | ALDH1A1CYP1A2KDM4ENPSR1CYP2C19 | |
| SCHEMBL29119987 | 0.80 | MEN1 (0.57) | ALDH1A1CYP1A2KDM4ECYP2C19LMNA | |
| SCHEMBL30666337 | 0.80 | MEN1 (0.57) | ALDH1A1CYP1A2KDM4ECYP2C19LMNA | |
| SCHEMBL2583959 | 0.79 | CYP1A2 (0.47) | ALDH1A1CYP1A2KDM4ENPSR1CYP2C19 | |
| SCHEMBL2680153 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CYP1A2KDM4ENPSR1CYP2C19 | |
| SCHEMBL6856654 | 0.78 | CYP3A4 (0.39) | ALDH1A1CYP1A2KDM4ECYP2C19LMNA | |
| SCHEMBL30416446 | 0.78 | CYP2C19 (0.49) | ALDH1A1CYP1A2KDM4ENPSR1CYP2C19 | |
| SCHEMBL2683154 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CYP1A2KDM4ENPSR1CYP2C19 | |
| SCHEMBL1127361 | 0.78 | CYP1A2 (0.53) | ALDH1A1CYP1A2NPSR1CYP2C19PTPRA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111971277-B | Benzothiophenes and related compounds as STING agonists | 默沙东有限责任公司 | 2023-06-06 | — | — | CN | disclosed |
| WO-2009010296-A2 | ANTIBODIES AGAINST 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE AND METABOLITES THEREOF | CENTRE DE RECHERCHE PUBLIQUE SANTÉ (LU) | 2009-01-22 | — | — | WO | disclosed |
| EP-2016954-A1 | Antibodies against 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone and metabolites thereof | Muller, Claude P. (LU) | 2009-01-21 | — | — | EP | disclosed |
| US-4725580-A | ARTERIAL TENSION | SANOFI (FR) | 1988-02-16 | — | — | US | disclosed |