Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 11/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL4511008 | 0.87 | DHFR (0.51) | DHFRPTPN1APPNLRP3 | |
| SCHEMBL27698454 | 0.84 | DHFR (0.43) | DHFRPTPN1APPNLRP3CYP1A2 | |
| SCHEMBL4511017 | 0.81 | DHFR (0.47) | DHFRPTPN1APPNLRP3CYP1A2 | |
| SCHEMBL4519688 | 0.80 | DHFR (0.52) | DHFRPTPN1APPNLRP3CYP1A2 | |
| SCHEMBL4515183 | 0.78 | PTPN1 (0.59) | DHFRPTPN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4524948 | 0.78 | DHFR (0.48) | DHFRPTPN1APPNLRP3 | |
| SCHEMBL4511415 | 0.78 | DHFR (0.51) | DHFRPTPN1APPNLRP3CYP1A2 | |
| SCHEMBL4529705 | 0.77 | PTPN1 (0.60) | DHFRPTPN1APPNLRP3 | |
| SCHEMBL4526439 | 0.77 | DHFR (0.50) | DHFRPTPN1NLRP3 | |
| SCHEMBL4524950 | 0.77 | PTPN1 (0.60) | DHFRPTPN1CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101056865-A | Aminoquinazolines compounds | HOFFMANN LA ROCHE (CH) | 2007-10-17 | — | — | CN | claimed |
| CN-101056865-A | Aminoquinazolines compounds | HOFFMANN LA ROCHE (CH) | 2007-10-17 | — | — | CN | disclosed |