Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2275400 | 0.95 | PARP1 (0.42) | PARP1KIF11ALDH1A1MAPK1DYRK1A | |
| SCHEMBL3787651 | 0.85 | ALDH1A1 (0.41) | PARP1KIF11ALDH1A1MAPK1DYRK1A | |
| SCHEMBL3787653 | 0.85 | ALDH1A1 (0.41) | PARP1KIF11ALDH1A1MAPK1DYRK1A | |
| SCHEMBL4562814 | 0.82 | PARP1 (0.45) | PARP1KIF11ALDH1A1MAPK1GSK3B | |
| SCHEMBL3793445 | 0.81 | PARP1 (0.47) | PARP1KIF11ALDH1A1MAPK1DYRK1A | |
| SCHEMBL50237 | 0.81 | PARP1 (0.50) | PARP1KIF11ALDH1A1MAPK1DYRK1A | |
| SCHEMBL1173615 | 0.80 | KIF11 (0.51) | PARP1KIF11ALDH1A1MAPK1DYRK1A | |
| SCHEMBL5283403 | 0.79 | PARP1 (0.44) | PARP1KIF11ALDH1A1MAPK1DYRK1A | |
| SCHEMBL772671 | 0.77 | EGFR (0.41) | PARP1KIF11ALDH1A1MAPK1DYRK1A | |
| SCHEMBL2273262 | 0.77 | EGFR (0.41) | PARP1KIF11ALDH1A1MAPK1DYRK1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010082050-A1 | MACROCYCLIC AND 7-AMINOALKYL-SUBSTITUTED BENZOXAZOCINES FOR TREATMENT OF HEPATITIS C INFECTIONS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2010-07-22 | — | — | WO | disclosed |