Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | DRD4 | P21917 | 2/20 | 0.56 |
| ▸ | DRD3 | P35462 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.48 |
| ▸ | DRD2 | P14416 | 4/20 | 0.48 |
| ▸ | HTR2A | P28223 | 3/20 | 0.48 |
| ▸ | HTR2C | P28335 | 3/20 | 0.48 |
| ▸ | HTR2B | P41595 | 3/20 | 0.48 |
| ▸ | PRCP | P42785 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1388439 | 0.81 | DRD2 (0.55) | CYP1A2CYP3A4TSHRDRD4DRD3 | |
| SCHEMBL8008902 | 0.80 | HRH1 (0.47) | DRD4SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL9202359 | 0.76 | DRD4 (0.74) | CYP1A2CYP3A4TSHRDRD4DRD3 | |
| SCHEMBL1388733 | 0.75 | DRD4 (0.50) | DRD4DRD3SIGMAR1DRD2HTR2A | |
| SCHEMBL1388377 | 0.72 | DRD4 (1.00) | CYP1A2CYP3A4TSHRDRD4DRD3 | |
| SCHEMBL8012631 | 0.70 | HRH1 (0.49) | DRD4MEN1KMT2ASIGMAR1DRD2 | |
| SCHEMBL9374358 | 0.68 | SIGMAR1 (0.81) | CYP1A2CYP3A4TSHRMEN1KMT2A | |
| SCHEMBL7353364 | 0.68 | DRD4 (0.44) | DRD4SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL8011492 | 0.67 | HRH1 (0.51) | DRD4SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL10638075 | 0.67 | DRD2 (0.56) | CYP1A2CYP3A4TSHRDRD4DRD3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-H08502958-A | — | — | 1996-04-02 | — | — | JP | claimed |
| EP-0665840-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 1995-08-09 | — | — | EP | claimed |
| WO-1994010162-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-11 | — | — | WO | claimed |
| US-5670522-A | Dopamine receptor subtype ligands | MERCK SHARP & DOHME LIMITED (GB) | 1997-09-23 | — | — | US | disclosed |