Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
| ▸ | CCR8 | P51685 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7914265 | 0.81 | CYP1A2 (0.43) | CYP1A2CYP2A6UHRF1PIK3CDPIK3CA | |
| SCHEMBL14467192 | 0.78 | CYP1A2 (0.41) | CYP1A2CYP2A6UHRF1PIK3CDPIK3CA | |
| SCHEMBL25054147 | 0.75 | CYP1A2 (0.38) | CYP1A2CYP2A6UHRF1PIK3CDPIK3CA | |
| SCHEMBL22515647 | 0.75 | — | — | |
| SCHEMBL17053156 | 0.72 | GPR35 (0.51) | ALDH1A1MAPTPKM | |
| SCHEMBL17053155 | 0.71 | CYP2A6 (0.35) | CYP1A2CYP2A6 | |
| SCHEMBL14467177 | 0.70 | POLQ (0.35) | CYP1A2CYP2A6PIK3CDPIK3CAPIK3CB | |
| SCHEMBL31674086 | 0.69 | MAPT (0.45) | NPC1ALDH1A1MAPTHPGDRAB9A | |
| SCHEMBL204319 | 0.69 | GPR35 (0.30) | — | |
| SCHEMBL18266963 | 0.69 | CYP1A2 (0.67) | CYP1A2CYP2A6UHRF1CCR1CCR5 |
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-2004064842-A1 | AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-08-05 | — | — | WO | disclosed |