Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 7/20 | 0.45 |
| ▸ | STAT3 | P40763 | 3/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | PTGES | O14684 | 2/20 | 0.43 |
| ▸ | MET | P08581 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6686272 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5668055 | 0.92 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5668058 | 0.92 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL7065924 | 0.91 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL7065928 | 0.91 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5665894 | 0.89 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5669065 | 0.84 | ALDH1A1 (0.57) | CYP1A2CYP2D6KMT2AGAAKDM4E | |
| SCHEMBL5669062 | 0.84 | ALDH1A1 (0.57) | CYP1A2CYP2D6KMT2AGAAKDM4E | |
| SCHEMBL5669689 | 0.82 | ALDH1A1 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5669687 | 0.82 | ALDH1A1 (0.49) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004026242-A2 | SUBSTITUTED KETOPHOSPHONATE INHIBITORS OF TUMOR CELL PROLIFERATION | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | claimed |
| WO-2004026243-A2 | THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | disclosed |