Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAP3K12 | Q12852 | 7/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 8/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21453034 | 0.87 | KMT2A (0.47) | KMT2AMAP3K12SCN5AKDM4EALDH1A1 | |
| SCHEMBL21452862 | 0.80 | KMT2A (0.44) | KMT2AMAP3K12GRM2CHRM3PDE4A | |
| SCHEMBL23992108 | 0.79 | SMPD3 (0.39) | GRM2CHRM3 | |
| SCHEMBL21434037 | 0.79 | SMPD3 (0.39) | GRM2CHRM3 | |
| SCHEMBL21434036 | 0.79 | SMPD3 (0.39) | GRM2CHRM3 | |
| SCHEMBL21452656 | 0.78 | SMPD3 (0.39) | GRM2 | |
| SCHEMBL21434139 | 0.77 | SMPD3 (0.45) | — | |
| SCHEMBL21434135 | 0.77 | KMT2A (0.53) | KMT2AGRM2KDM4EUSP2ALDH1A1 | |
| SCHEMBL21434064 | 0.75 | KMT2A (0.43) | KMT2AGRM2KDM4EALDH1A1 | |
| SCHEMBL21453053 | 0.75 | FAAH (0.43) | MAP3K12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019193516-A2 | SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2019-10-10 | — | — | WO | disclosed |