Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7382585 | 0.78 | MEN1 (0.47) | KDM4ECYP1A2ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL8726941 | 0.76 | LTA4H (0.52) | CYP1A2CHRNB2CHRNA4 | |
| SCHEMBL7381665 | 0.76 | MAPT (0.47) | CYP1A2ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL7384351 | 0.76 | CYP1A2 (0.43) | KDM4ECYP1A2CHRNB2CHRNA4 | |
| SCHEMBL7380717 | 0.75 | CHRNA7 (0.42) | KDM4ECYP1A2ALDH1A1TSHRCHRNB2 | |
| SCHEMBL7380489 | 0.74 | CYP1A2 (0.48) | CYP1A2ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL28177088 | 0.74 | HTR1A (0.67) | HTR1ADRD2GFERKDM4ECYP1A2 | |
| SCHEMBL7383494 | 0.73 | IDO1 (0.48) | CYP1A1CYP1A2CYP1B1IDO1 | |
| SCHEMBL6629615 | 0.73 | CHRNB2 (0.48) | CYP1A2ALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL30862024 | 0.73 | NAMPT (0.47) | HTR1ADRD2GFERKDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1165500-A1 | AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE | Du Pont Pharmaceuticals Company (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059874-A1 | NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-10-12 | — | — | WO | disclosed |