Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 1/20 | 0.52 |
| ▸ | FEN1 | P39748 | 1/20 | 0.52 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | JAK1 | P23458 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6645901 | 0.84 | ERCC1 (0.47) | ERCC1FEN1ERCC4PARP1ROCK2 | |
| SCHEMBL6645274 | 0.82 | ERCC1 (0.57) | ERCC1FEN1ERCC4ALDH1A1HSP90AA1 | |
| SCHEMBL6650063 | 0.82 | ROCK2 (0.44) | ERCC1FEN1ERCC4ALDH1A1HTR2C | |
| SCHEMBL5121983 | 0.80 | ADORA2A (0.49) | ERCC1FEN1ERCC4ADORA2AALDH1A1 | |
| SCHEMBL1150550 | 0.79 | ADORA2A (0.48) | ERCC1FEN1ERCC4ADORA2AALDH1A1 | |
| SCHEMBL6645790 | 0.78 | ERCC1 (0.53) | ERCC1FEN1ERCC4ALDH1A1PARP1 | |
| SCHEMBL6645591 | 0.74 | ERCC1 (0.47) | ERCC1FEN1ERCC4ADORA2AHTR2C | |
| SCHEMBL3534739 | 0.74 | ERCC1 (0.47) | ERCC1FEN1ERCC4ADORA2AHSP90AA1 | |
| SCHEMBL3535425 | 0.73 | PDE10A (0.48) | ADORA2AALDH1A1CNR2HSP90AA1HSP90AB1 | |
| SCHEMBL5127566 | 0.73 | TP53 (0.49) | ALDH1A1ROCK2ROCK1LMNA |
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 | claimed |
| 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 | claimed |