Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | USP2 | O75604 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.64 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2454102 | 0.98 | ALDH1A1 (0.67) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL13544534 | 0.96 | ALDH1A1 (0.63) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Hydrochloric Acid SCHEMBL4826508 | 0.94 | ALDH1A1 (0.61) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL28220192 | 0.89 | ALDH1A1 (0.52) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL3421776 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL2871721 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL11340444 | 0.87 | CYP1A2 (0.48) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL10602483 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL98282 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL929568 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CYP1A2USP2LMNATSHR |
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-113444011-A | Preparation method and application of 1, 1-cyclohexane-diacetic acid monoamide | 江西同和药业股份有限公司 | 2021-09-28 | — | — | CN | claimed |
| CN-113444011-A | Preparation method and application of 1, 1-cyclohexane-diacetic acid monoamide | 江西同和药业股份有限公司 | 2021-09-28 | — | — | CN | disclosed |
| CN-113444011-A | Preparation method and application of 1, 1-cyclohexane-diacetic acid monoamide | 江西同和药业股份有限公司 | 2021-09-28 | — | — | CN | disclosed |