Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5079726 | 1.00 | HDAC1 (0.48) | HDAC1HDAC2TDP1CHRM1AKR1A1 | |
| SCHEMBL13403131 | 0.93 | HDAC1 (0.42) | HDAC1HDAC2TDP1CHRM1AKR1A1 | |
| SCHEMBL5516785 | 0.87 | HDAC1 (0.42) | HDAC1HDAC2TDP1CHRM1AKR1A1 | |
| SCHEMBL28711690 | 0.85 | GPR84 (0.46) | HDAC1HDAC2TDP1CHRM1AKR1A1 | |
| SCHEMBL2577773 | 0.84 | GPR84 (0.54) | TDP1GPR84SLC22A6TSHRALDH1A1 | |
| SCHEMBL21628119 | 0.84 | TDP1 (0.48) | HDAC1HDAC2TDP1CHRM1AKR1A1 | |
| SCHEMBL2327006 | 0.84 | METAP1 (0.42) | HDAC1HDAC2TDP1CHRM1AKR1A1 | |
| SCHEMBL13679380 | 0.84 | GPR84 (0.39) | HDAC1HDAC2TDP1CHRM1AKR1A1 | |
| SCHEMBL5878774 | 0.83 | GPR84 (0.58) | TDP1GPR84SLC22A6TSHRALDH1A1 | |
| SCHEMBL5878935 | 0.83 | GPR84 (0.58) | TDP1GPR84SLC22A6TSHRALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1912936-A2 | STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS | Pharmacia & Upjohn Company LLC (US) | 2008-04-23 | — | — | EP | claimed |
| WO-2007010387-A2 | STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2007-01-25 | — | — | WO | claimed |
| WO-2019110355-A1 | BRANCHED ADIPIC ACID BASED ESTERS AS NOVEL BASE STOCKS AND LUBRICANTS | BASF SE (DE) | 2019-06-13 | — | — | WO | disclosed |
| EP-1912936-A2 | STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS | Pharmacia & Upjohn Company LLC (US) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007010387-A2 | STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2007-01-25 | — | — | WO | disclosed |