Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | DVL1 | O14640 | 1/20 | 0.35 |
| ▸ | DVL3 | Q92997 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3787651 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MAPK1PARP1KIF11HPGD | |
| SCHEMBL2277686 | 0.92 | ALDH1A1 (0.40) | ALDH1A1MAPK1PARP1KIF11HPGD | |
| SCHEMBL2275400 | 0.89 | PARP1 (0.42) | ALDH1A1MAPK1PARP1KIF11HPGD | |
| SCHEMBL3086900 | 0.88 | PARP1 (0.44) | ALDH1A1MAPK1PARP1KIF11HPGD | |
| SCHEMBL3092166 | 0.88 | PARP1 (0.44) | ALDH1A1MAPK1PARP1KIF11HPGD | |
| SCHEMBL3785356 | 0.85 | PARP1 (0.39) | ALDH1A1MAPK1PARP1KIF11HPGD | |
| SCHEMBL3093015 | 0.83 | PARP1 (0.43) | ALDH1A1MAPK1PARP1KIF11HPGD | |
| SCHEMBL3793445 | 0.83 | PARP1 (0.47) | ALDH1A1MAPK1PARP1KIF11HPGD | |
| SCHEMBL14253832 | 0.79 | PARP1 (0.50) | ALDH1A1MAPK1PARP1KIF11HPGD | |
| SCHEMBL3590838 | 0.79 | PARP1 (0.50) | ALDH1A1MAPK1PARP1KIF11HPGD |
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 |