Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.35 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28308700 | 0.74 | CYP1A2 (0.39) | CYP1A2AHRNCF1CNR2NOS2 | |
| SCHEMBL23781410 | 0.74 | TSHR (0.50) | CYP1A2 | |
| SCHEMBL28783629 | 0.74 | CYP1A2 (0.45) | CYP1A2AHRNCF1CNR2NOS2 | |
| SCHEMBL9096260 | 0.74 | CYP1A2 (0.45) | CYP1A2AHRNCF1NOS2BACE1 | |
| SCHEMBL13194994 | 0.74 | CYP1A2 (0.45) | CYP1A2AHRNCF1NOS2BACE1 | |
| SCHEMBL12137143 | 0.74 | CYP1A2 (0.45) | CYP1A2AHRNCF1NOS2BACE1 | |
| SCHEMBL11174023 | 0.73 | TSHR (0.48) | CYP1A2AHRNCF1CNR2NOS2 | |
| SCHEMBL28919631 | 0.73 | NCF1 (0.43) | CYP1A2AHRNCF1CNR2NOS2 | |
| SCHEMBL3294200 | 0.73 | NCF1 (0.46) | CYP1A2NCF1CNR2NOS2BACE1 | |
| SCHEMBL31665931 | 0.73 | NCF1 (0.46) | CYP1A2NCF1CNR2NOS2BACE1 |
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 |