Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11710261 | 0.83 | TP53 (0.47) | TP53FDPSCA1CA2 | |
| SCHEMBL776175 | 0.83 | TP53 (0.47) | TP53FDPSCA1CA2 | |
| SCHEMBL527878 | 0.80 | — | — | |
| SCHEMBL28006708 | 0.79 | GABRR1 (0.33) | — | |
| SCHEMBL15345896 | 0.79 | HDAC1 (0.36) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL918205 | 0.79 | ALDH1A1 (0.31) | HTR2AHRH1 | |
| SCHEMBL951165 | 0.79 | THRB (0.39) | HDAC1HDAC2TSHRHDAC7HDAC8 | |
| Acrylic Acid Ethyl Ester SCHEMBL864341 | 0.79 | TSHR (0.40) | HDAC1HDAC2TSHRCYP3A4NPSR1 | |
| Water SCHEMBL29635525 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28093135 | 0.78 | — | — |
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-2279192-B1 | IONIC LIQUIDS | MERCK PATENT GMBH (DE) | 2013-10-30 | — | — | EP | claimed |
| EP-2025743-B1 | Hard surface cleaning compostion | PROCTER & GAMBLE (US) | 2011-04-13 | — | — | EP | claimed |