Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | MGMT | P16455 | 2/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | TPO | P07202 | 1/20 | 0.40 |
| ▸ | EPX | P11678 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6011973 | 0.75 | KMT2A (0.44) | DHFRLMNAMAPTNPSR1 | |
| SCHEMBL28879505 | 0.74 | TSHR (0.50) | TSHRCYP3A4MGMTMPOTPO | |
| SCHEMBL11222544 | 0.72 | TLR9 (0.53) | MAPTSMN1; SMN2 | |
| SCHEMBL25279739 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL27537440 | 0.71 | TSHR (0.46) | TSHRDHFR | |
| SCHEMBL31224617 | 0.69 | TSHR (0.52) | TSHRMAPTSMN1; SMN2 | |
| SCHEMBL27596415 | 0.69 | PDE10A (0.35) | — | |
| SCHEMBL6618548 | 0.68 | MKNK1 (0.43) | TSHRCDK1CDK2 | |
| SCHEMBL6616873 | 0.68 | MKNK1 (0.43) | TSHRCDK1CDK2 | |
| SCHEMBL10663429 | 0.67 | CYSLTR1 (0.62) | TSHRSTAT3HTTSMN1; SMN2 |
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-1701957-A1 | 2-AMINO-O4-SUBSTITUTED PTERIDINES AND THEIR USE AS INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2006-09-20 | — | — | EP | disclosed |
| WO-2005068465-A1 | 2-AMINO-O4-SUBSTITUTED PTERIDINES AND THEIR USE AS INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE | GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2005-07-28 | — | — | WO | disclosed |