Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.39 |
| ▸ | ESR1 | P03372 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963019 | 1.00 | HDAC2 (0.45) | HDAC2ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL8962818 | 0.92 | HTR3A (0.43) | HDAC2CYP2C9SLC18A3 | |
| SCHEMBL8962820 | 0.90 | HDAC2 (0.43) | HDAC2ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL8963248 | 0.90 | SLC18A3 (0.41) | HDAC2ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL9300179 | 0.90 | HDAC2 (0.43) | HDAC2ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL8963257 | 0.90 | SLC18A3 (0.41) | HDAC2ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL8963069 | 0.87 | SLC18A3 (0.40) | HDAC2CYP2C9SLC18A3NPC1RAB9A | |
| SCHEMBL8963054 | 0.87 | SLC18A3 (0.40) | HDAC2CYP2C9SLC18A3 | |
| SCHEMBL8963076 | 0.87 | SLC18A3 (0.40) | HDAC2CYP2C9SLC18A3NPC1RAB9A | |
| SCHEMBL8963017 | 0.86 | HTR2C (0.57) | HDAC2MAOBHTR2C |
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 |