Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 3/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.38 |
| ▸ | TLR2 | O60603 | 2/20 | 0.38 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 3/20 | 0.37 |
| ▸ | PLK3 | Q9H4B4 | 3/20 | 0.37 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6130094 | 0.78 | CETP (0.43) | CETPTLR2MBOAT4PLK1PLK3 | |
| SCHEMBL7620622 | 0.77 | CETP (0.39) | CETPTLR2MBOAT4PLK1PLK3 | |
| SCHEMBL6130148 | 0.75 | MBOAT4 (0.43) | AAK1MBOAT4PLK1PLK3 | |
| SCHEMBL6130115 | 0.72 | S1PR1 (0.49) | CETPMBOAT4S1PR4S1PR1S1PR3 | |
| SCHEMBL6130099 | 0.72 | CETP (0.45) | CETPMBOAT4PLK1PLK3S1PR4 | |
| Butane SCHEMBL6130095 | 0.72 | S1PR1 (0.48) | CETPMBOAT4S1PR4S1PR1S1PR3 | |
| SCHEMBL6130104 | 0.71 | SPHK2 (0.42) | MBOAT4PLK1PLK3SMPD1S1PR4 | |
| SCHEMBL6130097 | 0.70 | CETP (0.42) | CETPMBOAT4PLK1PLK3SMPD1 | |
| SCHEMBL23944942 | 0.69 | MBOAT4 (0.56) | CETPAAK1MBOAT4 | |
| SCHEMBL23318030 | 0.69 | MBOAT4 (0.55) | CETPMBOAT4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1315735-A4 | PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS | MERCK & CO INC (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1315735-A1 | PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS | Merck & Co., Inc. (US) | 2003-06-04 | — | — | EP | disclosed |
| WO-2002018395-A1 | PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS | MERCK & CO., INC. (US) | 2002-03-07 | — | — | WO | disclosed |