Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL758897 | 0.87 | CES2 (0.41) | CES2CES1ALDH1A1 | |
| SCHEMBL8784336 | 0.84 | CHRM1 (0.37) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL136825 | 0.84 | CES2 (0.38) | CES2CES1HDAC1HDAC2HDAC8 | |
| SCHEMBL17867663 | 0.84 | MAPT (0.46) | CES2 | |
| SCHEMBL4944494 | 0.84 | MAPT (0.46) | CES2 | |
| SCHEMBL8060806 | 0.84 | MAPT (0.46) | CES2 | |
| SCHEMBL11434661 | 0.81 | MAPT (0.37) | CES2CES1ALDH1A1 | |
| SCHEMBL8441007 | 0.81 | CES2 (0.36) | CES2TDP1TSHRCYP3A4ALDH1A1 | |
| SCHEMBL6470731 | 0.78 | CES2 (0.41) | CES2CES1ALDH1A1 | |
| SCHEMBL4460608 | 0.77 | CES2 (0.48) | CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005037797-A1 | SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | claimed |
| US-6809111-B2 | ANTIINFLAMMATORY AGENTS; ANALGESICS | PHARMACIA CORPORATION | 2004-10-26 | — | — | US | disclosed |