Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23992189 | 0.79 | ALDH1A1 (0.41) | ALDH1A1NPSR1KDM4EMAPK1HIF1A | |
| SCHEMBL17586253 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HSD17B10NPSR1KDM4EMAPK1 | |
| SCHEMBL17586255 | 0.77 | ALDH1A1 (0.45) | ALDH1A1HSD17B10NPSR1KDM4EMAPK1 | |
| SCHEMBL13537143 | 0.75 | ALDH1A1 (0.44) | ALDH1A1HSD17B10NPSR1KDM4EMAPK1 | |
| SCHEMBL17582309 | 0.73 | ALDH1A1 (0.42) | ALDH1A1HSD17B10NPSR1KDM4EMAPK1 | |
| SCHEMBL17586254 | 0.73 | ALDH1A1 (0.42) | ALDH1A1HSD17B10NPSR1KDM4EMAPK1 | |
| SCHEMBL25363091 | 0.72 | FOLH1 (0.37) | ALDH1A1MAPK1 | |
| SCHEMBL21064421 | 0.72 | ALDH1A1 (0.41) | ALDH1A1HSD17B10NPSR1KDM4EMAPK1 | |
| SCHEMBL21434170 | 0.72 | ALDH1A1 (0.38) | ALDH1A1HSD17B10 | |
| SCHEMBL21452570 | 0.71 | ALDH1A1 (0.30) | ALDH1A1 |
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 |