Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | FPGS | Q05932 | 2/20 | 0.50 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.50 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.49 |
| ▸ | CDC25B | P30305 | 1/20 | 0.49 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.48 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.48 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2247651 | 0.90 | MRGPRX4 (0.56) | DHFRCA2FPGSMRGPRX4CA1 | |
| SCHEMBL2251677 | 0.90 | GPR132 (0.55) | DHFRPTPN1MAPTCA2MRGPRX4 | |
| SCHEMBL2248588 | 0.88 | MMP12 (0.57) | DHFRPTPN1NPC1MAPTCA2 | |
| SCHEMBL2249558 | 0.86 | CA2 (0.58) | PTPN1CA2CTSLCTSBCTSS | |
| SCHEMBL2246956 | 0.85 | GRM5 (0.57) | DHFRCA2MRGPRX4ADAMTS4MMP13 | |
| SCHEMBL2247421 | 0.85 | PARP15 (0.56) | DHFRNPC1CA2FPGSMRGPRX4 | |
| SCHEMBL2245262 | 0.85 | MRGPRX4 (0.53) | DHFRPTPN1NPC1CA2FPGS | |
| SCHEMBL2243990 | 0.83 | DHFR (0.50) | DHFRPTPN1MAPTCA2FPGS | |
| SCHEMBL2250715 | 0.83 | MRGPRX4 (0.51) | DHFRPTPN1NPC1CA2MRGPRX4 | |
| SCHEMBL2251027 | 0.82 | CA2 (0.51) | DHFRPTPN1CA2PTPN2CDC25B |
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 |
|---|---|---|---|---|---|---|---|
| US-7998965-B2 | Glutamate aggrecanase inhibitors | WYETH LLC (US) | 2011-08-16 | — | — | US | disclosed |