Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | PTPRA | P18433 | 1/20 | 0.65 |
| ▸ | PTPRB | P23467 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.58 |
| ▸ | SUMO1 | P63165 | 1/20 | 0.58 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.58 |
| ▸ | SENP3 | Q9H4L4 | 1/20 | 0.58 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.58 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 3/20 | 0.53 |
| ▸ | ENPP2 | Q13822 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8528180 | 0.99 | CYP1A2 (0.70) | CYP1A2CYP2C9HIF1ATSHRPTPRA | |
| SCHEMBL751982 | 0.99 | CYP1A2 (0.70) | CYP1A2CYP2C9HIF1ATSHRPTPRA | |
| SCHEMBL30742587 | 0.99 | CYP1A2 (0.70) | CYP1A2CYP2C9HIF1ATSHRPTPRA | |
| SCHEMBL15424240 | 0.93 | HIF1A (0.76) | CYP1A2CYP2C9HIF1ATSHRPTPRA | |
| SCHEMBL1435843 | 0.90 | CYP1A2 (0.69) | CYP1A2CYP2C9HIF1ATSHRPTPRA | |
| SCHEMBL1435839 | 0.90 | CYP1A2 (0.69) | CYP1A2CYP2C9HIF1ATSHRPTPRA | |
| SCHEMBL15424214 | 0.90 | CYP1A2 (0.68) | CYP1A2CYP2C9HIF1ATSHRPTPRA | |
| SCHEMBL5160460 | 0.89 | CYP1A2 (0.71) | CYP1A2CYP2C9HIF1ATSHRPTPRA | |
| SCHEMBL12955458 | 0.89 | CYP1A2 (0.71) | CYP1A2CYP2C9HIF1ATSHRPTPRA | |
| SCHEMBL20271507 | 0.82 | CYP1A2 (0.76) | CYP1A2CYP2C9HIF1ATSHRPTPRA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113143901-A | Magnesium composition and use thereof | 纽罗森特里亚股份有限公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-107412217-B | Magnesium composition and use thereof | 纽罗森特里亚股份有限公司 | 2021-02-26 | — | — | CN | disclosed |