Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL3151016 | 0.83 | HDAC3 (0.45) | HDAC3CYP2D6CYP2C19CYP2C9ESR1 | |
| SCHEMBL1128087 | 0.81 | HDAC3 (0.52) | HDAC3CYP2D6CYP2C19ESR1ESR2 | |
| SCHEMBL30885697 | 0.80 | HDAC3 (0.49) | HDAC3ESR1ESR2 | |
| Iodide SCHEMBL10482578 | 0.80 | HDAC3 (0.51) | HDAC3CYP2D6CYP2C19ESR1ESR2 | |
| Bromide SCHEMBL6024516 | 0.80 | HDAC3 (0.51) | HDAC3CYP2D6CYP2C19ESR1ESR2 | |
| SCHEMBL14637926 | 0.80 | HDAC3 (0.69) | HDAC3CYP2D6CYP2C19ESR1ESR2 | |
| SCHEMBL1127857 | 0.79 | HDAC3 (0.57) | HDAC3CYP2D6CYP2C19NAMPTALDH1A1 | |
| SCHEMBL5141015 | 0.78 | HDAC3 (0.56) | HDAC3CYP2D6CYP2C19ESR1ESR2 | |
| SCHEMBL29767826 | 0.78 | HDAC3 (0.52) | HDAC3CYP2D6CYP2C19ESR1ESR2 | |
| SCHEMBL28774659 | 0.78 | HDAC3 (0.52) | HDAC3CYP2D6CYP2C19ESR1ESR2 |
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-2012155022-A1 | NON-CYCLOPENTADIENYL-BASED CHROMIUM CATALYSTS FOR OLEFIN POLYMERIZATION | DOW GLOBAL TECHNOLOGIES LLC (US) | 2012-11-15 | — | — | WO | disclosed |