Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21225471 | 0.97 | GRIN1 (0.40) | GRIN1GRIN2AGRIN2BKDM4EGAA | |
| SCHEMBL21225273 | 0.92 | GRIN1 (0.38) | GRIN1GRIN2AGRIN2BOPRM1OPRL1 | |
| SCHEMBL9234226 | 0.90 | OPRM1 (0.34) | GRIN1GRIN2AGRIN2BOPRM1OPRL1 | |
| SCHEMBL30310728 | 0.88 | GRIN1 (0.36) | GRIN1GRIN2AGRIN2BOPRM1OPRL1 | |
| SCHEMBL8523550 | 0.88 | GRIN1 (0.36) | GRIN1GRIN2AGRIN2BOPRM1OPRL1 | |
| SCHEMBL22834163 | 0.79 | OPRM1 (0.34) | OPRM1OPRL1SLC6A9 | |
| SCHEMBL19852916 | 0.79 | GRIN1 (0.34) | GRIN1GRIN2AGRIN2B | |
| SCHEMBL21238799 | 0.78 | GRIN2B (0.46) | GRIN2BKDM4E | |
| SCHEMBL9948790 | 0.78 | HSD17B10 (0.43) | — | |
| Water SCHEMBL29623096 | 0.78 | OPRM1 (0.33) | OPRM1OPRL1SLC6A9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3746442-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | Aptinyx Inc. (US) | 2020-12-09 | — | — | EP | disclosed |
| WO-2019152678-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2019-08-08 | — | — | WO | disclosed |