Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.38 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL21452788 | 0.99 | KDM4E (0.40) | KDM4EALDH1A1LMNACYP1A2CYP3A4 | |
| SCHEMBL21452943 | 0.86 | FAAH (0.38) | FAAHSYKEPHX2ABL1KDR | |
| SCHEMBL21452614 | 0.86 | EPHX2 (0.43) | CYP3A4FAAHEPHX2ABL1KDR | |
| SCHEMBL21452672 | 0.86 | EPHX2 (0.43) | CYP3A4FAAHEPHX2ABL1KDR | |
| SCHEMBL21433996 | 0.86 | EPHX2 (0.43) | CYP3A4FAAHEPHX2ABL1KDR | |
| SCHEMBL21433986 | 0.85 | CDK9 (0.42) | CYP3A4FAAHEPHX2KDRTRPA1 | |
| SCHEMBL21452730 | 0.85 | CDK9 (0.42) | CYP3A4FAAHEPHX2KDRTRPA1 | |
| SCHEMBL21434007 | 0.85 | CDK9 (0.42) | CYP3A4FAAHEPHX2KDRTRPA1 | |
| SCHEMBL21433984 | 0.85 | CDK9 (0.42) | CYP3A4FAAHEPHX2KDRTRPA1 | |
| SCHEMBL21452942 | 0.84 | EPHX2 (0.48) | MAPTSYKEPHX2KDR |
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 |