Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | HTR2A | P28223 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.61 |
| ▸ | CCR3 | P51677 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | LTA4H | P09960 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL5365328 | 0.96 | ALDH1A1 (0.64) | CYP1A2CYP3A4CYP2D6HTR2AKDM4E | |
| SCHEMBL5367392 | 0.90 | HTR2A (0.71) | HTR2ASIGMAR1CCR3ALDH1A1LTA4H | |
| SCHEMBL7368435 | 0.84 | HTR2A (0.83) | CYP1A2CYP3A4CYP2D6HTR2AKDM4E | |
| SCHEMBL1221629 | 0.84 | ALDH1A1 (0.67) | CYP1A2CYP3A4CYP2D6HTR2AKDM4E | |
| SCHEMBL11259036 | 0.82 | LTA4H (0.55) | CYP1A2CYP3A4CYP2D6HTR2AKDM4E | |
| SCHEMBL23366658 | 0.81 | KCNH2 (0.68) | CYP1A2CYP3A4CYP2D6HTR2AKDM4E | |
| SCHEMBL2183713 | 0.81 | LTA4H (0.64) | HTR2ASIGMAR1CCR3ALDH1A1LTA4H | |
| SCHEMBL11252400 | 0.81 | MEN1 (0.58) | CYP1A2CYP3A4CYP2D6HTR2AKDM4E | |
| SCHEMBL6700770 | 0.80 | SIGMAR1 (0.69) | CYP1A2CYP3A4CYP2D6SIGMAR1CCR3 | |
| SCHEMBL10438853 | 0.80 | SIGMAR1 (0.69) | CYP1A2CYP3A4CYP2D6SIGMAR1CCR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |