Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 3/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10816950 | 0.96 | MEN1 (0.40) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL28998040 | 0.80 | MEN1 (0.40) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL15747950 | 0.76 | MEN1 (0.46) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL7241275 | 0.76 | MEN1 (0.40) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL27356363 | 0.76 | MEN1 (0.40) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL11114694 | 0.76 | MEN1 (0.40) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL8608363 | 0.74 | MEN1 (0.39) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| Pyrrolidine SCHEMBL29274358 | 0.74 | — | — | |
| SCHEMBL29256799 | 0.73 | MEN1 (0.41) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 | |
| SCHEMBL21051079 | 0.72 | MEN1 (0.37) | MEN1CYP2D6CYP2C19KMT2ACHRNB2 |
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-117088824-A | Preparation method of alpha-1, 3, 5-triazine thioketone compound | 浙江工业大学 | 2023-11-21 | — | — | CN | disclosed |