Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 4/20 | 0.52 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | LSS | P48449 | 1/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL436503 | 0.89 | ESR2 (0.63) | ESR2SRD5A1DRD2SLC2A1HTR3A | |
| SCHEMBL9955456 | 0.83 | ESR2 (0.57) | ESR2SRD5A1DRD2SLC2A1HTR3A | |
| SCHEMBL11196166 | 0.78 | ESR2 (0.77) | ESR2DRD2SLC18A3CYP2C9 | |
| SCHEMBL315186 | 0.78 | HTR3A (0.58) | ESR2SRD5A1DRD2SLC2A1HTR3A | |
| SCHEMBL10700576 | 0.77 | ESR2 (0.48) | ESR2SRD5A1DRD2SLC2A1HTR3A | |
| Methyl Alcohol SCHEMBL15391253 | 0.76 | DRD2 (0.55) | ESR2SRD5A1DRD2SLC2A1HTR3A | |
| SCHEMBL8448521 | 0.75 | ESR2 (0.47) | ESR2SRD5A1DRD2SLC2A1HTR3A | |
| SCHEMBL8448516 | 0.75 | ESR2 (0.47) | ESR2SRD5A1DRD2SLC2A1HTR3A | |
| SCHEMBL8448523 | 0.75 | ESR2 (0.47) | ESR2SRD5A1DRD2SLC2A1HTR3A | |
| SCHEMBL8447502 | 0.72 | ESR2 (0.45) | ESR2DRD2SLC2A1LSSLMNA |
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-2012088153-A1 | INHIBITORS OF CYTOCHROME P450 | GILEAD SCIENCES, INC. (US) | 2012-06-28 | — | — | WO | disclosed |