Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 6-O-Benzylguanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 9/20 | 0.88 |
| ▸ | MGMT | P16455 | 8/20 | 0.88 |
| ▸ | CDK1 | P06493 | 8/20 | 0.88 |
| ▸ | CCNB1 | P14635 | 8/20 | 0.88 |
| ▸ | CCNA2 | P20248 | 8/20 | 0.88 |
| ▸ | CDK2 | P24941 | 8/20 | 0.88 |
| ▸ | CCNA1 | P78396 | 8/20 | 0.88 |
| ▸ | LMNA | P02545 | 1/20 | 0.88 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.88 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.88 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.88 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.88 |
| ▸ | TSHR | P16473 | 1/20 | 0.88 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.88 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.88 |
| ▸ | BLM | P54132 | 1/20 | 0.88 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.88 |
| ▸ | CDC7 | O00311 | 1/20 | 0.56 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| 6-O-Benzylguanine SCHEMBL61740 | 0.94 | PIN1 (1.00) | PIN1MGMTCDK1CCNB1CCNA2 | |
| 6-O-Benzylguanine SCHEMBL31517079 | 0.94 | PIN1 (1.00) | PIN1MGMTCDK1CCNB1CCNA2 | |
| 6-O-Benzylguanine SCHEMBL4631744 | 0.92 | PIN1 (0.97) | PIN1MGMTCDK1CCNB1CCNA2 | |
| 6-O-Benzylguanine SCHEMBL10916361 | 0.86 | PIN1 (0.76) | PIN1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL3338895 | 0.86 | PIN1 (0.76) | PIN1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL3297931 | 0.83 | PIN1 (1.00) | PIN1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL851965 | 0.82 | PIN1 (0.78) | PIN1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL23124359 | 0.82 | MGMT (0.81) | PIN1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL29749175 | 0.82 | MGMT (0.81) | PIN1MGMTCDK1CCNB1CCNA2 | |
| SCHEMBL3305088 | 0.81 | PIN1 (0.73) | PIN1MGMTCDK1CCNB1CCNA2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050080098-A1 | Crystal and solvate of 2-amino-6-benzyloxypurine and production methods thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-04-14 | — | — | US | claimed |
| EP-1492791-A1 | CRYSTAL AND SOLVATE OF 2-AMINO-6-BENZYLOXYPURINE AND PRODUCTION METHODS THEREOF | Sumitomo Chemical Company, Limited (JP) | 2005-01-05 | — | — | EP | claimed |
| WO-2003084957-A1 | CRYSTAL AND SOLVATE OF 2-AMINO-6-BENZYLOXYPURINE AND PRODUCTION METHODS THEREOF | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 2003-10-16 | — | — | WO | claimed |
| US-7345170-B2 | Crystal and solvate of 2-amino-6-benzyloxypurine and production methods thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-03-18 | — | — | US | disclosed |
| US-20050080098-A1 | Crystal and solvate of 2-amino-6-benzyloxypurine and production methods thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-04-14 | — | — | US | disclosed |
| EP-1492791-A1 | CRYSTAL AND SOLVATE OF 2-AMINO-6-BENZYLOXYPURINE AND PRODUCTION METHODS THEREOF | Sumitomo Chemical Company, Limited (JP) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003084957-A1 | CRYSTAL AND SOLVATE OF 2-AMINO-6-BENZYLOXYPURINE AND PRODUCTION METHODS THEREOF | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 2003-10-16 | — | — | WO | disclosed |