Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | F2 | P00734 | 2/20 | 0.56 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.56 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL28745690 | 0.90 | KMT2A (0.65) | CYP1A2CYP2C19CYP2D6CYP2C9KMT2A | |
| SCHEMBL106811 | 0.90 | KMT2A (0.68) | CYP1A2CYP2C19CYP2D6CYP2C9KMT2A | |
| SCHEMBL7423952 | 0.90 | KMT2A (0.68) | CYP1A2CYP2C19CYP2D6CYP2C9KMT2A | |
| SCHEMBL17024352 | 0.90 | KMT2A (0.68) | CYP1A2CYP2C19CYP2D6CYP2C9KMT2A | |
| SCHEMBL60288 | 0.90 | KMT2A (0.68) | CYP1A2CYP2C19CYP2D6CYP2C9KMT2A | |
| SCHEMBL412452 | 0.90 | KMT2A (0.68) | CYP1A2CYP2C19CYP2D6CYP2C9KMT2A | |
| SCHEMBL585645 | 0.90 | KMT2A (0.68) | CYP1A2CYP2C19CYP2D6CYP2C9KMT2A | |
| SCHEMBL17419427 | 0.90 | KMT2A (0.68) | CYP1A2CYP2C19CYP2D6CYP2C9KMT2A | |
| SCHEMBL26058 | 0.90 | KMT2A (0.68) | CYP1A2CYP2C19CYP2D6CYP2C9KMT2A | |
| SCHEMBL28550247 | 0.90 | KMT2A (0.68) | CYP1A2CYP2C19CYP2D6CYP2C9KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023121378-A1 | (S)-2-(2-METHYLAZETIDIN-1-YL)PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | 주식회사 엘지화학 | 2023-06-29 | — | — | WO | disclosed |