Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.52 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.51 |
| ▸ | MBTPS1 | Q14703 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 2/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP14 | P50281 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.42 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3365762 | 0.89 | ACE (0.52) | ACEFOLH1MBTPS1CTSSCTSK | |
| Hydrochloric Acid SCHEMBL3365449 | 0.88 | ACE (0.51) | ACEFOLH1MBTPS1CTSSCTSK | |
| SCHEMBL20804457 | 0.80 | PPARA (0.53) | FOLH1CTSSCTSKCTSLPPARA | |
| SCHEMBL20804450 | 0.77 | FOLH1 (0.49) | FOLH1CTSSCTSKCTSLPPARA | |
| SCHEMBL28517232 | 0.77 | FAAH (0.50) | — | |
| SCHEMBL28517231 | 0.77 | FAAH (0.50) | — | |
| SCHEMBL7518373 | 0.76 | PPARA (0.74) | ACECTSSCTSKCTSLPPARA | |
| SCHEMBL19853661 | 0.76 | PPARA (0.74) | ACECTSSCTSKCTSLPPARA | |
| SCHEMBL7523142 | 0.76 | ACE (0.50) | ACEFOLH1CTSSCTSKCTSL | |
| SCHEMBL1170973 | 0.76 | CTSK (0.56) | FOLH1CTSSCTSKCTSLPPARA |
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-2018026763-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2018-02-08 | — | — | WO | disclosed |