Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.45 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 3/20 | 0.43 |
| ▸ | JAK3 | P52333 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | FOS | P01100 | 1/20 | 0.43 |
| ▸ | JUN | P05412 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2658889 | 0.85 | JAK2 (0.54) | KDM4EALDH1A1CLEC4MGABRA1GABRB2 | |
| SCHEMBL2657032 | 0.85 | CLEC4M (0.51) | KDM4EALDH1A1CLEC4MGABRA1GABRB2 | |
| SCHEMBL7434700 | 0.84 | CLEC4M (0.54) | KDM4EALDH1A1CLEC4MGABRA1GABRB2 | |
| SCHEMBL7431303 | 0.82 | FNTA (0.49) | KDM4ECLEC4MGABRA1GABRB2GABRB1 | |
| SCHEMBL2659125 | 0.81 | MAPT (0.56) | ALDH1A1CLEC4MGABRA1GABRB2CYP1A2 | |
| SCHEMBL1559220 | 0.77 | CLEC4M (0.49) | KDM4EALDH1A1CLEC4MGABRA1GABRB2 | |
| SCHEMBL2658810 | 0.77 | TP53 (0.50) | KDM4EALDH1A1CLEC4MGABRA1GABRB2 | |
| SCHEMBL7433705 | 0.77 | GABRA1 (0.58) | KDM4EALDH1A1CLEC4MGABRA1GABRB2 | |
| SCHEMBL30740932 | 0.76 | ALDH1A1 (0.48) | KDM4EALDH1A1CLEC4MCSNK1DCYP1A2 | |
| SCHEMBL2659216 | 0.76 | TSHR (0.49) | KDM4EALDH1A1CLEC4MGABRA1GABRB2 |
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 |