Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | MMP14 | P50281 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12083017 | 0.73 | PPARD (0.47) | PPARDMAOBALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL2350595 | 0.72 | PPARD (0.45) | CA1CA2CA9PPARDMAOB | |
| SCHEMBL15453567 | 0.72 | CA2 (0.61) | CA1CA2CA9MAOBALDH1A1 | |
| SCHEMBL8237725 | 0.68 | NQO1 (0.64) | MAOBALDH1A1CYP1A1CYP1B1CHRNB2 | |
| SCHEMBL10096892 | 0.65 | DRD2 (0.40) | PPARDMAOBALDH1A1DRD2FFAR1 | |
| SCHEMBL31335146 | 0.65 | DGAT1 (0.54) | PPARDMAOBALDH1A1 | |
| SCHEMBL10097103 | 0.65 | DRD2 (0.40) | PPARDMAOBALDH1A1DRD2 | |
| SCHEMBL12409185 | 0.65 | CHRNB2 (0.54) | MAOBCYP1A1CYP1B1CHRNB2CHRNB4 | |
| SCHEMBL12016106 | 0.65 | CYP1A1 (0.60) | CA1CA2CA9MAOBCYP1A1 | |
| SCHEMBL13724105 | 0.64 | CA1 (0.50) | CA1CA2CA9MAOBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1882524-B | 4- ((phenoxyalkyl) thio) -phenoxyacetic acids and analogs | JANSSEN PHARMACEUTICA NV | 2011-06-08 | — | — | CN | disclosed |