Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 10/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29652240 | 0.89 | PNMT (0.53) | PNMTCHRM2CHRM4CHRM5CYP2D6 | |
| SCHEMBL21489595 | 0.89 | PNMT (0.53) | PNMTCHRM2CHRM4CHRM5CYP2D6 | |
| SCHEMBL16267716 | 0.89 | PNMT (0.53) | PNMTCHRM2CHRM4CHRM5CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL25291317 | 0.81 | PNMT (0.43) | PNMTADRA2A | |
| SCHEMBL21489564 | 0.78 | PNMT (0.31) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL16271249 | 0.74 | PNMT (0.37) | PNMTCHRM2CHRM4CHRM5CYP2D6 | |
| SCHEMBL29570993 | 0.72 | CXCR4 (0.32) | PNMTCHRM2CHRM4CHRM5CYP2D6 | |
| SCHEMBL16267704 | 0.72 | CXCR4 (0.32) | PNMTCHRM2CHRM4CHRM5CYP2D6 | |
| SCHEMBL25251593 | 0.69 | ABHD6 (0.36) | PNMT | |
| SCHEMBL4738129 | 0.67 | PNMT (0.67) | PNMTADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3781560-A1 | PYRAZO-TETRAHYDROISOQUINOLINE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE MODULATORS | Eli Lilly and Company (US) | 2021-02-24 | — | — | EP | disclosed |
| WO-2019204418-A1 | PYRAZO-TETRAHYDROISOQUINOLINE DERIVATIVES AS DOPAMINE D1 RECEPTOR POSITIVE MODULATORS | ELI LILLY AND COMPANY (US) | 2019-10-24 | — | — | WO | disclosed |