Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 3/20 | 0.52 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.31 |
| ▸ | USP2 | O75604 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19629102 | 0.83 | HSD11B1 (0.51) | HSD11B1PIK3CDCYP3A4USP2TSHR | |
| SCHEMBL20024390 | 0.77 | GRIN2B (0.47) | HSD11B1CYP3A4GRIN2BGRIN2CCYP1A2 | |
| SCHEMBL20024391 | 0.77 | GRIN2B (0.47) | HSD11B1CYP3A4GRIN2BGRIN2CCYP1A2 | |
| SCHEMBL20024392 | 0.77 | GRIN2B (0.47) | HSD11B1CYP3A4GRIN2BGRIN2CCYP1A2 | |
| SCHEMBL19614960 | 0.76 | GRIN2B (0.59) | HSD11B1CYP3A4USP2TSHRGRIN2B | |
| SCHEMBL19614958 | 0.76 | GRIN2B (0.59) | HSD11B1CYP3A4USP2TSHRGRIN2B | |
| SCHEMBL19628502 | 0.76 | GRIN2B (0.59) | HSD11B1CYP3A4USP2TSHRGRIN2B | |
| SCHEMBL19614956 | 0.76 | GRIN2B (0.59) | HSD11B1CYP3A4USP2TSHRGRIN2B | |
| SCHEMBL19614952 | 0.76 | GRIN2B (0.59) | HSD11B1CYP3A4USP2TSHRGRIN2B | |
| SCHEMBL19614959 | 0.76 | GRIN2B (0.59) | HSD11B1CYP3A4USP2TSHRGRIN2B |
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-2017201283-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2017-11-23 | — | — | WO | disclosed |