Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL128163 | 0.82 | — | — | |
| SCHEMBL11155275 | 0.76 | CES2 (0.36) | CES2CES1HDAC1HDAC2HDAC8 | |
| SCHEMBL9034995 | 0.75 | CES2 (0.52) | CES2CES1TSHRALDH1A1 | |
| SCHEMBL6468759 | 0.74 | CES2 (0.38) | CES2CES1ALDH1A1 | |
| SCHEMBL1081232 | 0.74 | — | — | |
| SCHEMBL3227977 | 0.74 | — | — | |
| SCHEMBL131047 | 0.74 | — | — | |
| SCHEMBL9863789 | 0.74 | — | — | |
| SCHEMBL14860085 | 0.73 | — | — | |
| SCHEMBL638042 | 0.72 | CES2 (0.41) | CES2CES1HDAC1HDAC2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101374844-A | Pyrrolopyridazinone compound | UBE INDUSTRIES (JP) | 2009-02-25 | — | — | CN | disclosed |