Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL187559 | 0.84 | CYP2C19 (0.52) | ACHEPPARGPPARDPPARACYP2C19 | |
| SCHEMBL11378154 | 0.82 | ACHE (0.46) | ACHEPPARGPPARDPPARAKDM4E | |
| SCHEMBL27617794 | 0.79 | PPARG (0.51) | ACHEPPARGPPARDPPARACYP2C19 | |
| SCHEMBL10622251 | 0.79 | ACHE (0.59) | ACHEPPARGPPARDPPARAKDM4E | |
| SCHEMBL7294943 | 0.79 | ACHE (0.55) | ACHEPPARGPPARDPPARACYP2C19 | |
| SCHEMBL28541577 | 0.78 | SLC6A3 (0.43) | ALDH1A1KMT2ASMN1; SMN2LMNAHTT | |
| SCHEMBL28190394 | 0.78 | L3MBTL1 (0.47) | MTNR1AMTNR1BALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL6066043 | 0.77 | ACHE (0.42) | ACHEPPARGPPARDPPARAKDM4E | |
| SCHEMBL10724830 | 0.77 | CA12 (0.46) | ACHEPPARGPPARDPPARAKDM4E | |
| SCHEMBL27677867 | 0.77 | ACHE (0.55) | ACHEPPARGPPARDPPARAKDM4E |
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-107434789-B | Benzotriazole derivatives, preparation method thereof, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2021-04-13 | — | — | CN | disclosed |