Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.41 |
| ▸ | TTR | P02766 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7063106 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5665894 | 0.88 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL7065928 | 0.84 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL7065924 | 0.84 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL6918142 | 0.83 | GABBR2 (0.59) | CYP1A2CYP2C9PTGS1PTGS2ALOX5 | |
| SCHEMBL5667900 | 0.79 | SMN1; SMN2 (0.42) | CYP1A2CYP3A4 | |
| SCHEMBL5667902 | 0.79 | SMN1; SMN2 (0.42) | CYP1A2CYP3A4 | |
| SCHEMBL5667477 | 0.77 | TOP2A (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5667474 | 0.77 | TOP2A (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL6685969 | 0.76 | PTPN5 (0.35) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004026245-A2 | SUBSTITUTED PHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | disclosed |