Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.47 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 5/20 | 0.43 |
| ▸ | JAK3 | P52333 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7434700 | 0.85 | CLEC4M (0.54) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL2658905 | 0.85 | KDM4E (0.55) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL7431303 | 0.83 | FNTA (0.49) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL2659125 | 0.82 | MAPT (0.56) | CLEC4MGABRA1GABRB2CYP1A2CYP3A4 | |
| SCHEMBL7433705 | 0.78 | GABRA1 (0.58) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL2658810 | 0.78 | TP53 (0.50) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL1559220 | 0.78 | CLEC4M (0.49) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL2658889 | 0.77 | JAK2 (0.54) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL2656845 | 0.75 | CLEC4M (0.46) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL7439474 | 0.74 | AR (0.60) | CLEC4MGABRA1GABRB2KMT2AMEN1 |
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 |