Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 4/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8799523 | 0.81 | XDH (0.46) | XDHS1PR1S1PR5 | |
| SCHEMBL932494 | 0.80 | S1PR1 (0.47) | XDHS1PR1S1PR5 | |
| SCHEMBL31470411 | 0.80 | XDH (0.45) | XDHS1PR1S1PR5 | |
| SCHEMBL1919413 | 0.80 | XDH (0.48) | XDHS1PR1S1PR5 | |
| SCHEMBL31185537 | 0.80 | XDH (0.48) | XDHS1PR1S1PR5 | |
| SCHEMBL26179844 | 0.79 | S1PR1 (0.46) | XDHS1PR1S1PR5 | |
| Dimethylamine SCHEMBL6948153 | 0.78 | MAOB (0.46) | XDHMAOBNPY2R | |
| SCHEMBL20057756 | 0.77 | XDH (0.42) | XDHS1PR1S1PR5 | |
| SCHEMBL28531441 | 0.75 | XDH (0.44) | XDHS1PR1S1PR5NPY2R | |
| SCHEMBL6948151 | 0.75 | LTA4H (0.57) | MAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |