Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL787846 | 1.00 | CYP2A6 (0.42) | CYP2A6CYP1A2KMT2AMCL1NR4A2 | |
| SCHEMBL8404365 | 0.80 | CYP1A2 (0.48) | CYP2A6CYP1A2ALDH1A1CYP17A1GAA | |
| SCHEMBL30640459 | 0.75 | ALDH1A1 (0.39) | CYP2A6CYP1A2ALDH1A1CYP17A1PSMB8 | |
| SCHEMBL2090970 | 0.75 | CYP2A6 (0.37) | CYP2A6CYP1A2ALDH1A1CYP17A1KCNA3 | |
| SCHEMBL10691719 | 0.75 | CYP2A6 (0.42) | CYP2A6CYP1A2KMT2AALDH1A1CYP17A1 | |
| SCHEMBL9350163 | 0.75 | ALDH1A1 (0.42) | CYP2A6CYP1A2KMT2ANR4A2ALDH1A1 | |
| SCHEMBL10832904 | 0.75 | TRPA1 (0.41) | CYP2A6CYP1A2KMT2AALDH1A1CYP17A1 | |
| SCHEMBL288465 | 0.75 | ACHE (0.39) | CYP2A6CYP1A2ALDH1A1MIFCYP17A1 | |
| SCHEMBL2091920 | 0.75 | ALDH1A1 (0.39) | CYP2A6CYP1A2ALDH1A1CYP17A1PSMB8 | |
| SCHEMBL25012755 | 0.75 | CYP1A2 (0.42) | CYP2A6CYP1A2NR4A2MIFPSMB8 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023000435-A1 | METHOD FOR PREPARING SERTACONAZOLE NITRATE INTERMEDIATE | 海南海神同洲制药有限公司 | 2023-01-26 | — | — | WO | claimed |
| CN-112694470-B | Preparation process of sertaconazole nitrate | 海南海神同洲制药有限公司 | 2022-11-18 | — | — | CN | claimed |
| CN-113480517-B | Synthetic method of 3-bromomethyl-7-chlorobenzo [ b ] thiophene | 海南海神同洲制药有限公司 | 2022-09-09 | — | — | CN | claimed |
| WO-2023000435-A1 | METHOD FOR PREPARING SERTACONAZOLE NITRATE INTERMEDIATE | 海南海神同洲制药有限公司 | 2023-01-26 | — | — | WO | disclosed |
| CN-112694470-B | Preparation process of sertaconazole nitrate | 海南海神同洲制药有限公司 | 2022-11-18 | — | — | CN | disclosed |
| CN-113480517-B | Synthetic method of 3-bromomethyl-7-chlorobenzo [ b ] thiophene | 海南海神同洲制药有限公司 | 2022-09-09 | — | — | CN | disclosed |
| CN-113480517-B | Synthetic method of 3-bromomethyl-7-chlorobenzo [ b ] thiophene | 海南海神同洲制药有限公司 | 2022-09-09 | — | — | CN | disclosed |