Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 2/20 | 0.57 |
| ▸ | FEN1 | P39748 | 2/20 | 0.57 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6645591 | 0.90 | ERCC1 (0.47) | ERCC1FEN1ERCC4HDAC6MCHR1 | |
| SCHEMBL3534739 | 0.90 | ERCC1 (0.47) | ERCC1FEN1ERCC4HDAC6MCHR1 | |
| SCHEMBL6651068 | 0.84 | ERCC1 (0.52) | ERCC1FEN1ERCC4 | |
| SCHEMBL6645792 | 0.82 | ERCC1 (0.52) | ERCC1FEN1ERCC4HDAC6MCHR1 | |
| SCHEMBL6649380 | 0.80 | ERCC1 (0.54) | ERCC1FEN1ERCC4ALOX5MCHR1 | |
| SCHEMBL5122314 | 0.76 | HDAC4 (0.56) | ERCC1FEN1ERCC4HDAC6HDAC4 | |
| SCHEMBL6644307 | 0.76 | KDM4E (0.42) | ERCC1FEN1ERCC4ALDH1A1KMT2A | |
| SCHEMBL1150283 | 0.75 | KCNE1 (0.51) | ERCC1FEN1ERCC4HDAC6HDAC4 | |
| SCHEMBL6645272 | 0.74 | ERCC1 (0.59) | ERCC1FEN1ERCC4ALOX5HDAC6 | |
| SCHEMBL6645037 | 0.73 | KMT2A (0.39) | ERCC1FEN1ERCC4ALDH1A1KMT2A |
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 |