Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | MC5R | P33032 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27540773 | 0.81 | EPHX2 (0.41) | KMT2A | |
| Hydrochloric Acid SCHEMBL28844174 | 0.80 | EPHX2 (0.40) | KMT2A | |
| Bromide SCHEMBL28875349 | 0.80 | EPHX2 (0.40) | KMT2A | |
| SCHEMBL30783424 | 0.78 | SIGMAR1 (0.48) | — | |
| SCHEMBL28641047 | 0.76 | EPHX2 (0.37) | KMT2A | |
| SCHEMBL28203325 | 0.76 | CACNA1I (0.34) | CYP19A1HDAC1 | |
| SCHEMBL27542961 | 0.75 | EPHX2 (0.36) | KMT2A | |
| SCHEMBL27520031 | 0.75 | EPHX2 (0.36) | KMT2A | |
| SCHEMBL28075663 | 0.75 | EPHX2 (0.36) | KMT2A | |
| SCHEMBL29500974 | 0.73 | DRD2 (0.42) | KMT2AACHEDAOHSP90AB1CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114380743-A | Method for introducing trifluoromethylthio group into nitrogen-containing compound | 四川大学 | 2022-04-22 | — | — | CN | claimed |
| CN-114380743-B | Method for introducing trifluoromethylthio into nitrogen-containing compound | 四川大学 | 2023-08-11 | — | — | CN | disclosed |
| CN-112028823-B | 1, 2-substituted quinoline compound and preparation method and application thereof | 五邑大学 | 2022-05-03 | — | — | CN | disclosed |
| CN-114380743-A | Method for introducing trifluoromethylthio group into nitrogen-containing compound | 四川大学 | 2022-04-22 | — | — | CN | disclosed |