Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALPL | P05186 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PRKCI | P41743 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | TRPM2 | O94759 | 2/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL10537014 | 0.77 | TRPA1 (0.58) | ALPLMETAP2CDK2 | |
| SCHEMBL21160401 | 0.76 | TRPA1 (0.66) | METAP2GSK3BCDK2 | |
| SCHEMBL18790699 | 0.73 | CLK1 (0.49) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL13970409 | 0.73 | IDO1 (0.48) | GSK3B | |
| SCHEMBL29002452 | 0.73 | AKT1 (0.52) | KDM4EALDH1A1HSD17B10TDP1MCL1 | |
| SCHEMBL24087861 | 0.72 | CYP1A2 (0.57) | KDM4EALPLGAAALDH1A1PARP1 | |
| Hydrochloric Acid SCHEMBL30015447 | 0.72 | GSK3B (0.50) | KDM4EGAATDP1GSK3AGSK3B | |
| SCHEMBL8219871 | 0.71 | ALDH1A1 (0.54) | KDM4EALPLGAAALDH1A1PARP1 | |
| SCHEMBL29866205 | 0.70 | CA12 (0.50) | KDM4EALPLGAAALDH1A1HSD17B10 | |
| SCHEMBL2010178 | 0.70 | CA12 (0.50) | KDM4EALPLGAAALDH1A1HSD17B10 |
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-2417134-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX Pharmaceuticals, Inc. (US) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010118078-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |
| WO-2008019303-A2 | PYRIDAZINONYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |