Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | KLK7 | P49862 | 4/20 | 0.44 |
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.44 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.38 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21225628 | 0.85 | ITGB3 (0.40) | ITGB3ITGA2BCTSS | |
| SCHEMBL21225630 | 0.85 | ITGB3 (0.40) | ITGB3ITGA2BCTSS | |
| SCHEMBL21246539 | 0.82 | ITGB3 (0.38) | ITGB3ITGA2BCTSL | |
| SCHEMBL19020373 | 0.78 | PPARA (0.54) | CTSLKLK7KLK5TLR2TLR1 | |
| SCHEMBL2301376 | 0.78 | PPARA (0.54) | CTSLKLK7KLK5TLR2TLR1 | |
| SCHEMBL17446701 | 0.78 | PPARA (0.54) | CTSLKLK7KLK5TLR2TLR1 | |
| SCHEMBL376018 | 0.77 | PPARA (0.61) | CTSLKLK7KLK5PPARAMEN1 | |
| SCHEMBL3817109 | 0.77 | PPARA (0.55) | CTSLKLK7KLK5TLR2TLR1 | |
| SCHEMBL1517760 | 0.77 | PPARA (0.55) | CTSLKLK7KLK5TLR2TLR1 | |
| SCHEMBL13007476 | 0.77 | PPARA (0.55) | CTSLKLK7KLK5TLR2TLR1 |
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-2019152688-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2019-08-08 | — | — | WO | disclosed |