Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 12/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29449583 | 1.00 | CASR (0.52) | CASRHPGDALOX15TSHRCASP1 | |
| SCHEMBL16871208 | 0.85 | CASR (0.47) | CASRHPGDALOX15TSHRCASP1 | |
| SCHEMBL16871209 | 0.78 | CASR (0.43) | CASRHPGDL3MBTL1 | |
| SCHEMBL24496148 | 0.76 | CASR (0.53) | CASRHPGDALOX15TSHRCASP1 | |
| SCHEMBL7544923 | 0.75 | CASR (0.64) | CASRHPGDALOX15L3MBTL1TNF | |
| SCHEMBL6470482 | 0.72 | CYP2C19 (0.55) | ALOX15ALDH1A1 | |
| SCHEMBL16871360 | 0.72 | CASR (0.48) | CASRHPGDRAB9AL3MBTL1NPC1 | |
| SCHEMBL11288819 | 0.72 | CASR (0.48) | CASRHPGDALOX15RAB9AMAPT | |
| SCHEMBL30731281 | 0.71 | CASR (0.55) | CASRRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL27565752 | 0.71 | CASR (0.47) | CASRHPGDALOX15RAB9AMAPT |
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-110003102-B | (R) -2- (alpha-deuterium-alpha-alkyl-alpha-aromatic) nitrogen heteroaryl compound and preparation method and application thereof | 河南师范大学 | 2022-03-22 | — | — | CN | disclosed |