Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.41 |
| ▸ | ESR1 | P03372 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | LSS | P48449 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963140 | 1.00 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4DRD2 | |
| SCHEMBL8962818 | 0.90 | HTR3A (0.43) | CYP2C9DRD2SLC18A3HTR3ALSS | |
| SCHEMBL8963241 | 0.86 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4DRD2 | |
| SCHEMBL9300385 | 0.86 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4DRD2 | |
| SCHEMBL8962829 | 0.86 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8963012 | 0.86 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4SLC18A3 | |
| SCHEMBL8962823 | 0.86 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8963020 | 0.86 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4SLC18A3 | |
| SCHEMBL8517316 | 0.86 | DRD2 (0.42) | ESR2ESR1CYP2C9CYP3A4DRD2 | |
| SCHEMBL8517310 | 0.86 | DRD2 (0.42) | ESR2ESR1CYP2C9CYP3A4DRD2 |
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-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |