Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 9/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 9/20 | 0.47 |
| ▸ | CNR2 | P34972 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.47 |
| ▸ | PPARD | Q03181 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29172017 | 0.86 | XDH (0.48) | XDHMAPTCYP3A4CYP1A2GABRA1 | |
| SCHEMBL2050350 | 0.80 | XDH (0.54) | XDHMAPTCYP3A4CYP1A2GABRA1 | |
| SCHEMBL1245219 | 0.78 | GABRA1 (0.61) | XDHMAPTCYP3A4CYP1A2GABRA1 | |
| SCHEMBL28728661 | 0.78 | GABRA1 (0.46) | XDHMAPTGABRA1GABRB2CNR2 | |
| SCHEMBL23668862 | 0.78 | GABRA1 (0.37) | MAPTCYP1A2GABRA1GABRB2ALDH1A1 | |
| SCHEMBL332664 | 0.78 | XDH (0.68) | XDHMAPTCYP3A4CYP1A2GABRA1 | |
| SCHEMBL11561646 | 0.78 | XDH (0.47) | XDHMAPTCYP3A4CYP1A2GABRA1 | |
| SCHEMBL7432495 | 0.78 | XDH (0.47) | XDHMAPTCYP3A4CYP1A2GABRA1 | |
| SCHEMBL9485968 | 0.77 | GABRA1 (0.41) | XDHMAPTCYP3A4CYP1A2GABRA1 | |
| SCHEMBL5907655 | 0.77 | XDH (0.50) | XDHMAPTCYP3A4CYP1A2GABRA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5847199-A | Derivative of phosphonic acid and process for the preparation thereof | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-08 | — | — | US | disclosed |
| EP-0842940-A1 | Derivative of phosphonic acid and process for the preparation thereof | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1998-05-20 | — | — | EP | disclosed |