Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 6/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.46 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.46 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL6649679 | 0.88 | GRM2 (0.52) | CHEK1PARP1PARP2TBK1PARP3 | |
| SCHEMBL6646735 | 0.86 | HRH3 (0.47) | ALDH1A1HRH3HRH4PARP1CYP2D6 | |
| SCHEMBL5254351 | 0.85 | PARP1 (0.54) | CHEK1ACHEHRH3PARP1CYP2D6 | |
| SCHEMBL6670693 | 0.76 | CHEK1 (0.39) | CHEK1ACHEPARP1CYP2C19PARP2 | |
| SCHEMBL2912150 | 0.76 | HRH3 (0.64) | ALDH1A1HRH3HRH4CYP2D6CYP2C19 | |
| SCHEMBL6649009 | 0.75 | SCN9A (0.41) | ALDH1A1 | |
| SCHEMBL6646739 | 0.75 | ALDH1A1 (0.53) | ALDH1A1CHEK1ACHEHRH3HRH4 | |
| SCHEMBL6670709 | 0.75 | HRH3 (0.49) | ALDH1A1HRH3PARP1HDAC1HDAC8 | |
| SCHEMBL3317696 | 0.75 | HRH3 (0.59) | ALDH1A1CHEK1ACHEHRH3PARP1 | |
| Hydrochloric Acid SCHEMBL27587927 | 0.74 | HRH3 (0.62) | ALDH1A1HRH3HRH4CYP2D6CYP2C19 |
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 |