Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3576898 | 1.00 | ALDH1A1 (0.45) | ALDH1A1BRD4CHRM4DRD2HTR7 | |
| SCHEMBL1270523 | 0.93 | CHRM4 (0.50) | ALDH1A1BRD4CHRM4DRD2HTR7 | |
| SCHEMBL29939759 | 0.93 | CHRM4 (0.50) | ALDH1A1BRD4CHRM4DRD2HTR7 | |
| SCHEMBL6625750 | 0.91 | LMNA (0.46) | ALDH1A1BRD4CHRM4DRD2HTR7 | |
| SCHEMBL380901 | 0.90 | KDM4E (0.53) | ALDH1A1BRD4KDM4ECREBBPMPO | |
| SCHEMBL30076622 | 0.90 | KDM4E (0.53) | ALDH1A1BRD4KDM4ECREBBPMPO | |
| SCHEMBL3565263 | 0.89 | HDAC6 (0.51) | ALDH1A1BRD4CHRM4DRD2HTR7 | |
| SCHEMBL6851609 | 0.87 | CHRM4 (0.43) | ALDH1A1BRD4CHRM4DRD2HTR7 | |
| SCHEMBL6851608 | 0.87 | CHRM4 (0.43) | ALDH1A1BRD4CHRM4DRD2HTR7 | |
| SCHEMBL15074680 | 0.85 | KDM4E (0.58) | ALDH1A1BRD4CHRM4DRD2HTR7 |
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-117561240-A | Inhibitors of transglutaminase | 策迪拉有限公司 | 2024-02-13 | — | — | CN | disclosed |
| EP-4192812-A1 | INHIBITORS OF TRANSGLUTAMINASES | Zedira GmbH (DE) | 2023-06-14 | — | — | EP | disclosed |
| WO-2023275333-A1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2023-01-05 | — | — | WO | disclosed |
| CN-109563094-B | (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2022-03-18 | — | — | CN | disclosed |