Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7772817 | 0.79 | CYP1A2 (0.44) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7764823 | 0.78 | CYP1A2 (0.43) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL5511328 | 0.78 | CYP2C19 (0.48) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL5510502 | 0.75 | CYP2C19 (0.45) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL9933594 | 0.75 | — | — | |
| SCHEMBL5608513 | 0.74 | CYP1A2 (0.47) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL25288139 | 0.74 | CYP2C19 (0.48) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL14941981 | 0.74 | CYP2C19 (0.48) | CYP2C19CYP1A2USP2ALDH1A1LMNA | |
| SCHEMBL28528515 | 0.74 | PTGIR (0.30) | — | |
| SCHEMBL7770587 | 0.73 | ALDH1A1 (0.42) | CYP2C19CYP1A2USP2ALDH1A1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104245681-B | (1,2, 3-Azole) sulfonyl derivatives | 南京优迪生物医药有限公司 | 2017-09-26 | — | — | CN | disclosed |