Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 18/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3921736 | 0.86 | CHEK2 (0.77) | CHEK2MEN1KMT2ATHRB | |
| SCHEMBL5252182 | 0.85 | CHEK2 (0.57) | CHEK2MEN1KMT2ATHRBKDR | |
| SCHEMBL5248310 | 0.82 | CHEK2 (0.61) | CHEK2MEN1KMT2ATHRBKDR | |
| SCHEMBL5252672 | 0.80 | CHEK2 (0.66) | CHEK2MEN1KMT2ATHRB | |
| SCHEMBL5248602 | 0.78 | CHEK2 (0.58) | CHEK2TP53 | |
| SCHEMBL5252823 | 0.78 | CHEK2 (0.57) | CHEK2MEN1KMT2ATHRB | |
| SCHEMBL5251652 | 0.75 | CHEK2 (0.67) | CHEK2TP53 | |
| SCHEMBL5252282 | 0.73 | CHEK2 (0.67) | CHEK2TP53 | |
| SCHEMBL5254939 | 0.73 | CHEK2 (0.60) | CHEK2MEN1KMT2ATHRB | |
| SCHEMBL5251336 | 0.72 | CHEK2 (0.58) | CHEK2MEN1KMT2ATHRBKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1435947-B1 | 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-¬4,5|-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER | ORTHO MCNEIL PHARM INC (US) | 2007-08-15 | — | — | EP | claimed |
| EP-1776362-A1 | SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY | Virochem Pharma Inc. (CA) | 2007-04-25 | — | — | EP | disclosed |
| WO-2005007656-A1 | SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY | VIROCHEM PHARMA INC. (CA) | 2005-01-27 | — | — | WO | disclosed |