Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 17/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19371614 | 0.79 | DRD1 (0.64) | DRD1TRPA1 | |
| SCHEMBL17178224 | 0.77 | TNKS (0.50) | POLB | |
| SCHEMBL15688121 | 0.74 | DRD1 (0.62) | DRD1 | |
| SCHEMBL20392882 | 0.72 | TNKS (0.40) | POLB | |
| SCHEMBL17174414 | 0.72 | TNKS (0.40) | POLB | |
| SCHEMBL13313198 | 0.72 | ADORA2A (0.51) | — | |
| SCHEMBL19371621 | 0.72 | DRD1 (0.65) | DRD1 | |
| SCHEMBL19390600 | 0.71 | HTR1A (0.42) | POLBCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17178214 | 0.71 | PDE3B (0.50) | DRD1 | |
| SCHEMBL21999457 | 0.70 | DRD1 (0.58) | DRD1TRPA1 |
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 |