Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ERCC1 | P07992 | 2/20 | 0.38 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
| ▸ | MERTK | Q12866 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6646441 | 0.98 | KCNH2 (0.42) | CYP2C9KCNH2ERCC1ERCC4POLB | |
| SCHEMBL6649498 | 0.88 | CYP2C9 (0.47) | CYP2C9KCNH2ERCC1ERCC4POLB | |
| SCHEMBL5765798 | 0.88 | TP53 (0.44) | CYP2C9KCNH2ERCC1ERCC4ALDH1A1 | |
| SCHEMBL6645617 | 0.86 | KCNH2 (0.42) | CYP2C9KCNH2ERCC1ERCC4ALDH1A1 | |
| SCHEMBL6649175 | 0.84 | ALDH1A1 (0.41) | CYP2C9KCNH2ERCC1ERCC4ALDH1A1 | |
| SCHEMBL6645018 | 0.82 | KCNH2 (0.48) | CYP2C9KCNH2ERCC1ERCC4ALDH1A1 | |
| SCHEMBL6643147 | 0.81 | ALDH1A1 (0.46) | POLBALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL6645037 | 0.80 | KMT2A (0.39) | CYP2C9KCNH2ERCC1ERCC4ALDH1A1 | |
| SCHEMBL6650838 | 0.80 | ALDH1A1 (0.38) | CYP2C9KCNH2ERCC1ERCC4ALDH1A1 | |
| SCHEMBL5115485 | 0.79 | CYP2C9 (0.50) | CYP2C9KCNH2POLBALDH1A1SMN1; 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-1441735-A1 | N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003035077-A1 | N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2003-05-01 | — | — | WO | disclosed |