Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGMT | P16455 | 3/20 | 0.47 |
| ▸ | PNP | P00491 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 2/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 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 | |
|---|---|---|---|---|
| SCHEMBL2097431 | 0.81 | MGMT (0.36) | MGMTPNPPDPK1 | |
| SCHEMBL3310029 | 0.78 | HCAR1 (0.46) | PNPDPP4PIN1PDPK1GDA | |
| SCHEMBL5084763 | 0.78 | MGMT (0.52) | MGMTPNPDPP4PIN1PDPK1 | |
| SCHEMBL1286947 | 0.72 | MAPK1 (0.51) | MGMTPNPDPP4PIN1CDK2 | |
| SCHEMBL11610799 | 0.72 | DPP4 (0.44) | PNPDPP4PIN1PDPK1GDA | |
| Hydrochloric Acid SCHEMBL21799343 | 0.71 | MAPK1 (0.50) | MGMTPNPDPP4PIN1CDK2 | |
| SCHEMBL41788 | 0.70 | PNP (0.50) | MGMTPNPDPP4PDPK1GDA | |
| SCHEMBL1286944 | 0.70 | PNP (0.38) | PNPDPP4ALDH1A1 | |
| SCHEMBL28106050 | 0.70 | ATAD2 (0.39) | MGMTPNPDPP4CYP1A2CYP2C19 | |
| SCHEMBL20579 | 0.69 | DPP4 (0.50) | MGMTPNPDPP4PDPK1GDA |
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-1730298-B1 | SPECIFIC SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE | EPFL ECOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (CH) | 2015-11-11 | — | — | EP | disclosed |
| US-8163479-B2 | Specific substrates for O6-alkylguanine-DNA alkyltransferase | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) | 2012-04-24 | — | — | US | disclosed |