Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 6/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8962766 | 1.00 | ESR2 (0.38) | ESR2GRIA1GRIA2GRIA3ESR1 | |
| SCHEMBL8962812 | 0.91 | GRIA1 (0.39) | GRIA1GRIA2GRIA3MAOBHSD11B1 | |
| SCHEMBL8962800 | 0.91 | GRIA1 (0.39) | GRIA1GRIA2GRIA3MAOBHSD11B1 | |
| SCHEMBL8963220 | 0.87 | HRH3 (0.42) | GRIA1GRIA2GRIA3MAOBHSD11B1 | |
| SCHEMBL8963065 | 0.87 | GRIA1 (0.37) | GRIA1GRIA2GRIA3MAOBHSD11B1 | |
| SCHEMBL8963232 | 0.87 | HRH3 (0.42) | GRIA1GRIA2GRIA3MAOBHSD11B1 | |
| SCHEMBL9510387 | 0.86 | ESR2 (0.38) | ESR2GRIA1GRIA2GRIA3ESR1 | |
| SCHEMBL8449106 | 0.86 | ESR2 (0.38) | ESR2GRIA1GRIA2GRIA3ESR1 | |
| SCHEMBL8449108 | 0.86 | ESR2 (0.38) | ESR2GRIA1GRIA2GRIA3ESR1 | |
| SCHEMBL9510390 | 0.86 | ESR2 (0.38) | ESR2GRIA1GRIA2GRIA3ESR1 |
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 |