Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTSG | P08311 | 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 | |
|---|---|---|---|---|
| SCHEMBL6820313 | 0.73 | CYP2C19 (0.42) | CYP19A1TSHRHPGDCYP2C19ALDH1A1 | |
| SCHEMBL29273202 | 0.70 | CYP19A1 (0.53) | CYP19A1TSHRHPGDCYP2C19CA1 | |
| SCHEMBL9425155 | 0.70 | TSHR (0.53) | TSHRHPGDCYP2C19CA1CA2 | |
| SCHEMBL25178141 | 0.69 | HPGD (0.49) | CYP19A1TSHRHPGDCYP2C19CA1 | |
| SCHEMBL30372426 | 0.69 | CYP19A1 (0.47) | CYP19A1TSHRHPGDCYP2C19CA1 | |
| SCHEMBL735675 | 0.66 | TSHR (0.81) | TSHRHPGDCYP2C19ALDH1A1KMT2A | |
| SCHEMBL7687590 | 0.66 | — | — | |
| SCHEMBL155247 | 0.64 | CYP19A1 (1.00) | CYP19A1MAPTPOLB | |
| SCHEMBL31405708 | 0.64 | MET (0.62) | TSHRHPGDKMT2AMEN1 | |
| SCHEMBL656086 | 0.63 | TSHR (0.69) | TSHRHPGDCYP2C19ALDH1A1MAPT |
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-108473454-B | A process for the preparation of formula (1) and intermediates therefor | 研成精密化学株式会社 | 2022-03-25 | — | — | CN | disclosed |