Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.32 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5670173 | 1.00 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5664312 | 0.86 | PTPN5 (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL6685969 | 0.86 | PTPN5 (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL7065924 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL7065928 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL6916852 | 0.77 | GABBR2 (0.55) | CYP1A2CYP2C9PTGS1PTGS2GABBR2 | |
| SCHEMBL5668055 | 0.77 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5668058 | 0.77 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL7065917 | 0.75 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL7065918 | 0.75 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 |
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-1551418-A4 | SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY | ILEX ONCOLOGY RES SARL (CH) | 2006-05-03 | — | — | EP | disclosed |
| EP-1551418-A1 | SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY | Ilex Oncology Research Sàrl (CH) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004026315-A1 | SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | disclosed |
| WO-2004026242-A2 | SUBSTITUTED KETOPHOSPHONATE INHIBITORS OF TUMOR CELL PROLIFERATION | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | disclosed |