Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.47 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.47 |
| ▸ | SCN4A | P35499 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21632844 | 0.91 | CARM1 (0.50) | ACHEPOLBCARM1PRMT6DRD4 | |
| SCHEMBL21633001 | 0.89 | SLC6A2 (0.49) | ACHEPOLBCARM1PRMT6DRD3 | |
| SCHEMBL21633117 | 0.88 | CARM1 (0.43) | ACHEPOLBCARM1PRMT6DRD3 | |
| SCHEMBL21633108 | 0.84 | KDM4E (0.51) | ACHEPOLBDRD3CYP1A2CYP3A4 | |
| SCHEMBL21632959 | 0.82 | ACHE (0.64) | ACHECARM1PRMT6DRD3CYP1A2 | |
| SCHEMBL21633048 | 0.82 | SLC6A2 (0.44) | DRD3CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL21633151 | 0.79 | KMT2A (0.59) | DRD3CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL21632862 | 0.79 | ACHE (0.47) | ACHEPOLBTSHRKMT2ALMNA | |
| SCHEMBL21633130 | 0.77 | SLC6A4 (0.56) | DRD3CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL21118566 | 0.77 | SLC6A2 (0.56) | DRD3CYP1A2CYP3A4CYP2D6TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020021021-A1 | ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-30 | — | — | WO | claimed |
| WO-2020021021-A1 | ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-30 | — | — | WO | disclosed |
| WO-2020021021-A1 | ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-30 | — | — | WO | disclosed |