Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 14/20 | 0.63 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4527626 | 0.93 | PTPN1 (0.68) | PTPN1HRH4TRPV1CYP1A2CYP2D6 | |
| SCHEMBL4535077 | 0.89 | PTPN1 (0.67) | PTPN1HRH4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4523209 | 0.81 | PTPN1 (0.67) | PTPN1HRH4NLRP3 | |
| SCHEMBL4527944 | 0.80 | PTPN1 (0.57) | PTPN1HRH4TRPV1CYP1A2CYP2D6 | |
| SCHEMBL4529240 | 0.79 | PTPN1 (0.53) | PTPN1HRH4NLRP3 | |
| SCHEMBL4531449 | 0.79 | PTPN1 (0.53) | PTPN1CYP1A2CYP2D6CYP2C19RECQL | |
| Trifluoroacetic Acid SCHEMBL4522538 | 0.78 | PTPN1 (0.58) | PTPN1HRH4 | |
| SCHEMBL13040908 | 0.77 | PTPN1 (1.00) | PTPN1 | |
| SCHEMBL4532451 | 0.77 | PTPN1 (0.51) | PTPN1TRPV1NLRP3 | |
| SCHEMBL3732057 | 0.77 | PTPN1 (1.00) | PTPN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1812409-A1 | AMINOQUINAZOLINES COMPOUNDS | F. Hoffmann-Roche AG (CH) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006050843-A1 | AMINOQUINAZOLINES COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-18 | — | — | WO | disclosed |