Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | PGK2 | P07205 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13978792 | 0.85 | SIGMAR1 (0.44) | PDE4ANOX1SIGMAR1CYP1A1CYP1A2 | |
| SCHEMBL24815605 | 0.81 | NOX1 (0.39) | PDE4ANOX1SIGMAR1CYP1A1CYP1A2 | |
| SCHEMBL16748956 | 0.79 | SIGMAR1 (0.44) | PDE4ANOX1SIGMAR1HTR1ACYP1A1 | |
| SCHEMBL25043904 | 0.75 | CA1 (0.44) | NOX1PNMTCA1CA2CA9 | |
| SCHEMBL20395648 | 0.74 | NPC1 (0.42) | PDE4ANOX1SIGMAR1HTR1ACYP1A1 | |
| SCHEMBL23187696 | 0.74 | NOTUM (0.37) | SIGMAR1PGK1PGK2CA1CA2 | |
| SCHEMBL16748957 | 0.73 | PDE4A (0.49) | PDE4ANOX1SIGMAR1CYP1A1CYP1A2 | |
| SCHEMBL16243152 | 0.71 | PDE4A (0.48) | PDE4ANOX1SIGMAR1CYP1A1CYP1A2 | |
| SCHEMBL16243149 | 0.71 | PDE4A (0.48) | PDE4ANOX1SIGMAR1CYP1A1CYP1A2 | |
| SCHEMBL1538725 | 0.71 | PGK1 (0.48) | PGK1PGK2CA1CA2CA9 |
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-109071488-B | Substituted 1,2, 3-triazoles as NR 2B-selective NMDA modulators | 詹森药业有限公司 | 2021-08-13 | — | — | CN | disclosed |