Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | GUSB | P08236 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL15688327 | 0.86 | CYP1A1 (0.46) | DRD1ALDH1A1CYP3A4CRHR1KMT2A | |
| SCHEMBL15688326 | 0.85 | ESR1 (0.44) | DRD1KMT2AGUSBMEN1POLB | |
| SCHEMBL20171982 | 0.81 | ACHE (0.39) | ACHEDRD1ALDH1A1CYP3A4KMT2A | |
| SCHEMBL15698728 | 0.80 | DRD1 (0.40) | DRD1ALDH1A1CYP3A4CRHR1KMT2A | |
| SCHEMBL19390840 | 0.80 | CACNA2D1 (0.46) | DRD1ALDH1A1CRHR1KMT2AMAPT | |
| SCHEMBL17174359 | 0.80 | DRD1 (0.40) | DRD1ALDH1A1CYP3A4CRHR1KMT2A | |
| SCHEMBL15667486 | 0.76 | DRD1 (0.54) | DRD1CYP3A4CRHR1KMT2AMAPT | |
| SCHEMBL9938324 | 0.73 | ACHE (0.68) | ACHEALDH1A1CYP3A4CRHR1KMT2A | |
| SCHEMBL17178291 | 0.73 | AMY1A (0.45) | DRD1ALDH1A1PDE10A | |
| SCHEMBL15688642 | 0.72 | CYP1A1 (0.43) | ALDH1A1CYP3A4KMT2AMAPTSMN1; SMN2 |
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 |