Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 19/20 | 0.64 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD5 | P21918 | 1/20 | 0.45 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.45 |
| ▸ | HTR1B | P28222 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR1E | P28566 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19371725 | 0.92 | DRD1 (0.65) | DRD1TRPA1 | |
| SCHEMBL15688156 | 0.84 | TRPA1 (0.67) | DRD1TRPA1 | |
| SCHEMBL15688314 | 0.82 | DRD1 (0.68) | DRD1TRPA1ADRB2CHRM2ADRB1 | |
| SCHEMBL19371671 | 0.81 | DRD1 (0.64) | DRD1TRPA1 | |
| SCHEMBL15688310 | 0.81 | DRD1 (0.82) | DRD1ADRB2CHRM2ADRB1HTR1A | |
| SCHEMBL19371704 | 0.81 | DRD1 (0.54) | DRD1TRPA1 | |
| SCHEMBL19371715 | 0.80 | DRD1 (0.58) | DRD1TRPA1ADRB2CHRM2ADRB1 | |
| SCHEMBL19371558 | 0.79 | DRD1 (0.61) | DRD1TRPA1 | |
| SCHEMBL19371701 | 0.79 | DRD1 (0.60) | DRD1TRPA1ADRB2CHRM2ADRB1 | |
| SCHEMBL17291580 | 0.78 | DRD1 (1.00) | DRD1 |
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-3323821-A1 | HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS | Pfizer Inc (US) | 2018-05-23 | — | — | EP | disclosed |
| EP-2917219-B1 | HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS | PFIZER (US) | 2017-09-27 | — | — | EP | disclosed |