Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29095241 | 0.88 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2ALMNACA12 | |
| SCHEMBL29259813 | 0.83 | ALDH1A1 (0.79) | ALDH1A1MEN1KMT2ALMNACA12 | |
| SCHEMBL15712142 | 0.83 | MEN1 (0.53) | ALDH1A1MEN1KMT2ALMNACA12 | |
| Hydrochloric Acid SCHEMBL17160811 | 0.81 | MEN1 (0.51) | ALDH1A1MEN1KMT2ALMNACA12 | |
| SCHEMBL29260186 | 0.80 | MEN1 (0.72) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL23451396 | 0.78 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2ALMNACA12 | |
| SCHEMBL3535555 | 0.78 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL23451385 | 0.78 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL625181 | 0.77 | ALDH1A1 (0.84) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL812658 | 0.76 | USP2 (0.69) | ALDH1A1MEN1KMT2ALMNACA12 |
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-114315660-B | Method for preparing 2-arylphenethylamine derivative | 江苏海洋大学 | 2023-09-22 | — | — | CN | disclosed |