Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 1/20 | 0.42 |
| ▸ | DNASE1 | P24855 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL891197 | 0.84 | BCHE (0.49) | BCHEIDO1DRD2TDP1ADORA3 | |
| SCHEMBL5171827 | 0.79 | BCHE (0.45) | BCHEDRD2TDP1ADORA3ADORA1 | |
| SCHEMBL22605688 | 0.78 | ADORA3 (0.55) | BCHEDRD2CNR2TDP1ADORA3 | |
| SCHEMBL15183122 | 0.78 | CNR2 (0.48) | CNR2ADORA3ADORA1OPRM1OPRK1 | |
| SCHEMBL5243499 | 0.77 | KMT2A (0.48) | ERCC1DNASE1FEN1ERCC4APP | |
| SCHEMBL897551 | 0.77 | B3GNT2 (0.55) | BCHEIDO1DRD2CNR2SIGMAR1 | |
| SCHEMBL14339563 | 0.76 | KDM4E (0.50) | ERCC1DNASE1FEN1ERCC4APP | |
| SCHEMBL5243149 | 0.76 | RAB9A (0.48) | ERCC1DNASE1FEN1ERCC4APP | |
| SCHEMBL5240660 | 0.76 | ERCC1 (0.52) | ERCC1DNASE1FEN1ERCC4APP | |
| SCHEMBL5242487 | 0.76 | ERCC1 (0.49) | ERCC1DNASE1FEN1ERCC4APP |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7115644-B2 | Heterocyclic compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-10-03 | — | — | US | claimed |
| EP-1539708-B1 | BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS | BOEHRINGER INGELHEIM PHARMA (US) | 2007-12-26 | — | — | EP | disclosed |
| EP-1539708-B1 | BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS | BOEHRINGER INGELHEIM PHARMA (US) | 2007-12-26 | — | — | EP | disclosed |
| US-7115644-B2 | Heterocyclic compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-10-03 | — | — | US | disclosed |
| EP-1539708-A1 | BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004024699-A1 | BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2004-03-25 | — | — | WO | disclosed |