Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1624564 | 0.84 | KMT2A (0.40) | HDAC1HDAC2AKT1 | |
| SCHEMBL10863989 | 0.83 | MIF (0.36) | NFKB1NFKB2RELAHDAC6HDAC1 | |
| SCHEMBL7491708 | 0.82 | MT-CO2 (0.33) | NFKB1NFKB2RELAHDAC6HDAC1 | |
| SCHEMBL6215915 | 0.82 | KCNQ4 (0.37) | HDAC6MT-CO2 | |
| SCHEMBL10935133 | 0.81 | L3MBTL1 (0.39) | — | |
| SCHEMBL9003727 | 0.81 | PPARG (0.39) | NFKB1NFKB2RELAHDAC6HDAC1 | |
| SCHEMBL10886004 | 0.77 | CYP17A1 (0.45) | — | |
| SCHEMBL28310488 | 0.76 | PAX8 (0.46) | MT-CO2 | |
| SCHEMBL3763750 | 0.73 | MAPT (0.38) | MT-CO2 | |
| SCHEMBL28024917 | 0.72 | MT-CO2 (0.32) | MT-CO2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6333336-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION | MERCK SHARP & DOHME LTD. (GB) | 2001-12-25 | — | — | US | disclosed |
| EP-1064283-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048892-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-30 | — | — | WO | disclosed |