Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10778879 | 1.00 | TDP1 (0.44) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL6236851 | 0.88 | CA2 (0.45) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL10775554 | 0.88 | CA2 (0.45) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL10775582 | 0.84 | GPR84 (0.55) | GPR84FFAR1GRIK1GRIK2MAPT | |
| SCHEMBL10780887 | 0.84 | GPR84 (0.55) | GPR84FFAR1GRIK1GRIK2MAPT | |
| SCHEMBL676549 | 0.84 | TDP1 (0.50) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL606593 | 0.82 | TDP1 (0.37) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL13986496 | 0.82 | TDP1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL9636422 | 0.82 | TDP1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL1000793 | 0.82 | TDP1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A |
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-2005005375-A1 | METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS | LANXESS DEUTSCHLAND GMBH (DE) | 2005-01-20 | — | — | WO | claimed |
| WO-2005005375-A1 | METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS | LANXESS DEUTSCHLAND GMBH (DE) | 2005-01-20 | — | — | WO | disclosed |