Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SORD | Q00796 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4759243 | 0.76 | ALDH1A1 (0.45) | CYP1A2NOTUMPTPN2PTPN1NQO2 | |
| SCHEMBL16113419 | 0.71 | NOTUM (0.47) | NOTUML3MBTL1MAPTKDM4EKEAP1 | |
| SCHEMBL7018102 | 0.69 | BCHE (0.50) | TSHRL3MBTL1MAPTKDM4EALDH1A1 | |
| SCHEMBL16113420 | 0.68 | NOTUM (0.47) | CYP1A2NOTUMKEAP1CYP19A1HCRTR1 | |
| SCHEMBL29364974 | 0.67 | MAPT (0.62) | CYP1A2HRH4TSHRL3MBTL1PTPN2 | |
| SCHEMBL103601 | 0.67 | MAPT (0.62) | CYP1A2HRH4TSHRL3MBTL1PTPN2 | |
| SCHEMBL241942 | 0.67 | NOTUM (0.50) | CYP1A2NOTUMTSHRALDH1A1KEAP1 | |
| Quinoline SCHEMBL27588058 | 0.67 | ALDH1A1 (0.55) | NOTUMKDM4EALDH1A1KEAP1CYP19A1 | |
| SCHEMBL4760703 | 0.67 | NPC1 (0.45) | CYP1A2HRH4NOTUMSORDMAPT | |
| SCHEMBL17768591 | 0.66 | NOTUM (0.35) | NOTUMMAPTKDM4EALDH1A1HCRTR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0781279-B1 | QUINOXALINEDIONE NMDA RECEPTOR ANTAGONISTS | PFIZER LTD (GB) | 2001-06-13 | — | — | EP | disclosed |