Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | UBE2N | P61088 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL888150 | 0.80 | HTR2A (0.44) | HTR2AHRH1TAAR1SIGMAR1MAOB | |
| Hydrochloric Acid SCHEMBL7737386 | 0.73 | CYP1A2 (0.50) | HTR2AHRH1CYP1A2CYP2D6 | |
| SCHEMBL4650416 | 0.71 | OPRK1 (0.39) | HTR2AMAOBCYP1A2CYP2D6ADRA2B | |
| SCHEMBL26730248 | 0.69 | HTR2A (0.53) | HTR2AHRH1TAAR1SIGMAR1UBE2N | |
| SCHEMBL6205916 | 0.67 | EPHX1 (0.59) | HTR2AHRH1TAAR1SIGMAR1UBE2N | |
| Hydrochloric Acid SCHEMBL7284036 | 0.67 | CYP1A2 (0.50) | HTR2AHRH1CYP1A2CYP2D6 | |
| SCHEMBL10587652 | 0.67 | HTR2A (0.47) | HTR2AHRH1TAAR1SIGMAR1MAOB | |
| SCHEMBL11230586 | 0.66 | HTR2A (0.50) | HTR2AHRH1TAAR1SIGMAR1UBE2N | |
| SCHEMBL31538222 | 0.66 | CYP1A2 (0.33) | HTR2AHRH1CYP1A2CYP2D6 | |
| SCHEMBL2766608 | 0.64 | MIF (0.54) | SIGMAR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1968938-A1 | SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2008-09-17 | — | — | EP | disclosed |
| EP-1968963-A1 | SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS | Grünenthal GmbH (DE) | 2008-09-17 | — | — | EP | disclosed |
| EP-1968935-A1 | SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS | Grünenthal GmbH (DE) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007079957-A1 | SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007079958-A1 | SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007079959-A1 | SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |