Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | TOP2A | P11388 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.42 |
| ▸ | STAT3 | P40763 | 2/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 3/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5669061 | 1.00 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL5667477 | 0.87 | TOP2A (0.45) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL5667474 | 0.87 | TOP2A (0.45) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL5668058 | 0.87 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL5668055 | 0.87 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL7065928 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL7065924 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL5666874 | 0.80 | ALOX5 (0.50) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL5666872 | 0.80 | ALOX5 (0.50) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL6686272 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6 |
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 5 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 | claimed |
| JP-2006504697-A | — | — | 2006-02-09 | — | — | JP | claimed |
| EP-1551418-A1 | SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY | Ilex Oncology Research Sàrl (CH) | 2005-07-13 | — | — | EP | claimed |
| WO-2004026243-A2 | THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | claimed |
| WO-2004026315-A1 | SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | claimed |