Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 11/20 | 0.45 |
| ▸ | LIG1 | P18858 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 7/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6537541 | 0.79 | CYP3A4 (0.40) | PARP1CYP3A4CYP2A6 | |
| SCHEMBL3798396 | 0.75 | KDM4E (0.71) | PARP1KDM4ELIG1CYP3A4 | |
| SCHEMBL3435885 | 0.75 | KDM4E (0.54) | PARP1KDM4ELIG1CYP3A4CYP2A6 | |
| SCHEMBL6537863 | 0.74 | ALDH1A1 (0.55) | KDM4EL3MBTL1CYP3A4CYP2A6 | |
| SCHEMBL30380500 | 0.72 | KDM4E (0.66) | PARP1KDM4EL3MBTL1RPS6KB1AURKA | |
| SCHEMBL10126261 | 0.72 | PARP1 (0.57) | PARP1KDM4EL3MBTL1RPS6KB1AURKA | |
| SCHEMBL6537947 | 0.72 | TYK2 (0.46) | CYP3A4 | |
| SCHEMBL7689718 | 0.71 | PARP1 (0.56) | PARP1KDM4EL3MBTL1RPS6KB1AURKA | |
| SCHEMBL3436084 | 0.70 | LIG1 (0.51) | PARP1KDM4ELIG1CYP3A4CYP2A6 | |
| SCHEMBL14075127 | 0.69 | SETDB1 (0.48) | LIG1CYP3A4CYP2A6 |
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-0581500-B1 | Antibiotic carbapenem compounds | ZENECA LTD (GB) | 1998-09-09 | — | — | EP | disclosed |
| US-5441949-A | Carbapenem antibiotic compounds | ZENECA LIMITED (GB) | 1995-08-15 | — | — | US | disclosed |
| EP-0581500-A1 | Antibiotic carbapenem compounds | ZENECA LIMITED (GB) | 1994-02-02 | — | — | EP | disclosed |