Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.49 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.48 |
| ▸ | NAMPT | P43490 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6672309 | 0.89 | KDM4E (0.59) | L3MBTL1HRH3GRM4GAAHPGD | |
| SCHEMBL4457334 | 0.77 | ALDH1A1 (0.53) | CYP1A2L3MBTL1NAMPTGAAKDM4E | |
| SCHEMBL5254353 | 0.77 | ACKR3 (0.72) | ACKR3 | |
| SCHEMBL6673900 | 0.75 | P2RX7 (0.61) | GRM4GAAALDH1A1P2RX7NPC1 | |
| SCHEMBL13683756 | 0.75 | NPC1 (0.62) | CYP1A2HPGDALOX15KDM4EALDH1A1 | |
| SCHEMBL6670691 | 0.74 | P2RX7 (0.55) | L3MBTL1DRD2GRM4GAAACKR3 | |
| Hydrochloric Acid SCHEMBL2907065 | 0.73 | KDM4E (0.57) | GAAHPGDKDM4EALDH1A1NPC1 | |
| Iodide SCHEMBL5165156 | 0.73 | KDM4E (0.57) | GAAHPGDKDM4EALDH1A1NPC1 | |
| SCHEMBL13726856 | 0.73 | GRM4 (0.66) | CYP3A4L3MBTL1GRM4GAAKDM4E | |
| SCHEMBL13212024 | 0.73 | HRH3 (0.63) | CYP1A2CYP3A4L3MBTL1HRH3GAA |
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-1441734-A1 | DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003035076-A1 | DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2003-05-01 | — | — | WO | disclosed |