Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | CCKAR | P32238 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8813882 | 0.81 | LTA4H (0.54) | CYP2D6TSHRHIF1AKDM4ELTA4H | |
| SCHEMBL9643684 | 0.76 | HRH2 (0.51) | CYP2D6TSHRHIF1AKDM4ELTA4H | |
| SCHEMBL27589491 | 0.75 | ACHE (0.42) | CYP2D6TSHRHIF1AKDM4ELTA4H | |
| SCHEMBL11008075 | 0.75 | TSHR (0.54) | CYP2D6TSHRHIF1AKDM4ELTA4H | |
| SCHEMBL11405384 | 0.73 | LTA4H (0.36) | CYP2D6TSHRHIF1AKDM4ELTA4H | |
| SCHEMBL5323618 | 0.73 | SLC7A5 (0.43) | LTA4HSLC6A2SLC6A3KCNH2SLC6A4 | |
| SCHEMBL28036217 | 0.73 | HRH1 (0.42) | LTA4HSLC6A2SLC6A3KCNH2SLC6A4 | |
| SCHEMBL28036664 | 0.71 | HRH1 (0.41) | LTA4HSLC6A2SLC6A3KCNH2SLC6A4 | |
| SCHEMBL28354367 | 0.71 | HRH3 (0.52) | KDM4ESLC6A2KCNH2HRH3SMN1; SMN2 | |
| SCHEMBL8029639 | 0.71 | SIGMAR1 (0.50) | KDM4ELTA4HDRD4LMNARAB9A |
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-107698538-B | Preparation method of intermediate 3- (1-piperidinylmethyl) phenol of roxatidine acetate hydrochloride | 内蒙古京东药业有限公司 | 2020-02-14 | — | — | CN | disclosed |