Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15211355 | 0.90 | ESR1 (0.37) | ESR1ESR2CYP3A4MAOAMAOB | |
| SCHEMBL7179171 | 0.83 | ESR1 (0.39) | ESR1ESR2CYP3A4MAOAMAOB | |
| SCHEMBL25845235 | 0.82 | ESR1 (0.38) | ESR1ESR2CYP3A4MAOAMAOB | |
| SCHEMBL1400682 | 0.76 | ESR1 (0.57) | ESR1ESR2 | |
| SCHEMBL821080 | 0.76 | ESR1 (0.57) | ESR1ESR2 | |
| SCHEMBL204322 | 0.76 | LTB4R (0.40) | ESR1ESR2CYP3A4MAOAMAOB | |
| SCHEMBL17431399 | 0.76 | LTB4R (0.40) | ESR1ESR2CYP3A4MAOAMAOB | |
| SCHEMBL205688 | 0.76 | LTB4R (0.40) | ESR1ESR2CYP3A4MAOAMAOB | |
| SCHEMBL15211430 | 0.72 | ESR1 (0.42) | ESR1ESR2CYP3A4MAOAMAOB | |
| SCHEMBL9277990 | 0.71 | FFAR1 (0.53) | MIF |
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-2004011446-A1 | INDANE, DIHYDROBENZOFURAN, AND TETRAHYDRONAPHTHALENE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIDIABETICS | BAYER PHARMACEUTICALS CORPORATION (US) | 2004-02-05 | — | — | WO | disclosed |