Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 7/20 | 0.61 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | VDR | P11473 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | P4HB | P07237 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28662971 | 1.00 | CASR (0.61) | CASRDRD2TDP1MEN1KMT2A | |
| SCHEMBL28928167 | 0.90 | CASR (0.50) | CASRDRD2TDP1MEN1KMT2A | |
| SCHEMBL28928166 | 0.90 | CASR (0.50) | CASRDRD2TDP1MEN1KMT2A | |
| SCHEMBL28663869 | 0.86 | TDP1 (0.59) | CASRTDP1MEN1KMT2ATSHR | |
| SCHEMBL28663870 | 0.86 | TDP1 (0.59) | CASRTDP1MEN1KMT2ATSHR | |
| SCHEMBL28669199 | 0.86 | DRD2 (0.46) | CASRDRD2ALDH1A1VDRL3MBTL1 | |
| SCHEMBL28669200 | 0.86 | DRD2 (0.46) | CASRDRD2ALDH1A1VDRL3MBTL1 | |
| SCHEMBL28657559 | 0.83 | SLC6A2 (0.50) | TDP1MEN1KMT2ACYP1A2ALDH1A1 | |
| SCHEMBL28657560 | 0.83 | SLC6A2 (0.50) | TDP1MEN1KMT2ACYP1A2ALDH1A1 | |
| SCHEMBL28662535 | 0.81 | KDM4E (0.43) | ALDH1A1LMNAVDR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113683556-B | Chiral aryl N-heteroaryl methylamine and preparation method thereof | 湖北滋兰生物医药科技有限公司 | 2024-06-07 | — | — | CN | disclosed |
| CN-113683556-A | Chiral aryl N-heteroaryl methylamine and preparation method thereof | 湖北滋兰生物医药科技有限公司 | 2021-11-23 | — | — | CN | disclosed |