Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | PRNP | P04156 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL28934102 | 0.86 | AHR (0.40) | CYP1A2KDM4EALDH1A1PRNPNPSR1 | |
| SCHEMBL28689934 | 0.81 | NCF1 (0.44) | CYP1A2KDM4EALDH1A1AHRNCF1 | |
| SCHEMBL16132527 | 0.79 | AHR (0.44) | CYP1A2KDM4EALDH1A1PRNPNPSR1 | |
| SCHEMBL28691183 | 0.74 | CYP1A2 (0.39) | CYP1A2KDM4EALDH1A1PRNPNPSR1 | |
| SCHEMBL28700794 | 0.74 | CYP1A2 (0.39) | CYP1A2KDM4EPRNPRXFP1AHR | |
| SCHEMBL28783629 | 0.74 | CYP1A2 (0.45) | CYP1A2KDM4EALDH1A1AHRNCF1 | |
| SCHEMBL11174023 | 0.73 | TSHR (0.48) | CYP1A2KDM4EALDH1A1AHRNCF1 | |
| SCHEMBL28919631 | 0.73 | NCF1 (0.43) | CYP1A2KDM4EALDH1A1AHRNCF1 | |
| SCHEMBL3294200 | 0.73 | NCF1 (0.46) | CYP1A2KDM4EALDH1A1NCF1SMN1; SMN2 | |
| SCHEMBL31665931 | 0.73 | NCF1 (0.46) | CYP1A2KDM4EALDH1A1NCF1SMN1; SMN2 |
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-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 |
| CN-110003102-A | (R) -2- (α-deuterium-alpha-alkyl-α-fragrance) azaheteroaryl and its preparation method and application | 河南师范大学 | 2019-07-12 | — | — | CN | disclosed |