Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 1/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.39 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 4/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8962812 | 1.00 | GRIA1 (0.39) | GRIA1GRIA2GRIA3HDAC2MAOB | |
| SCHEMBL8963220 | 0.95 | HRH3 (0.42) | GRIA1GRIA2GRIA3HDAC2MAOB | |
| SCHEMBL8963232 | 0.95 | HRH3 (0.42) | GRIA1GRIA2GRIA3HDAC2MAOB | |
| SCHEMBL8963065 | 0.95 | GRIA1 (0.37) | GRIA1GRIA2GRIA3HDAC2MAOB | |
| SCHEMBL8962770 | 0.91 | ESR2 (0.38) | GRIA1GRIA2GRIA3MAOBHSD11B1 | |
| SCHEMBL8962766 | 0.91 | ESR2 (0.38) | GRIA1GRIA2GRIA3MAOBHSD11B1 | |
| SCHEMBL9300526 | 0.89 | KDM1A (0.38) | GRIA1GRIA2GRIA3HDAC2MAOB | |
| SCHEMBL8963014 | 0.86 | HDAC2 (0.45) | HDAC2MAOBMAOA | |
| SCHEMBL8963019 | 0.86 | HDAC2 (0.45) | HDAC2MAOBMAOA | |
| SCHEMBL8452852 | 0.83 | GRIA1 (0.39) | GRIA1GRIA2GRIA3HDAC2MAOB |
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 |