Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 3/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1388420 | 0.83 | DRD4 (0.68) | DRD2DRD4DRD3KCNH2HTR2A | |
| SCHEMBL1388604 | 0.83 | DRD2 (0.52) | DRD2DRD4DRD3KCNH2HTR2A | |
| SCHEMBL1388764 | 0.82 | DRD2 (0.57) | DRD2DRD4DRD3KCNH2HRH3 | |
| SCHEMBL12846295 | 0.78 | SMPD1 (0.55) | SIGMAR1SMPD1KCNH2HRH3CYP1A2 | |
| SCHEMBL1388392 | 0.78 | DRD4 (0.60) | SIGMAR1DRD2DRD4DRD3HTR2A | |
| SCHEMBL13150788 | 0.74 | SIGMAR1 (0.88) | SIGMAR1SMPD1KCNH2HRH3 | |
| SCHEMBL1388702 | 0.73 | DRD4 (0.66) | SIGMAR1DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL1388660 | 0.72 | DRD4 (0.64) | DRD2DRD4DRD3KCNH2HTR2A | |
| SCHEMBL1388459 | 0.72 | ALDH1A1 (0.45) | SIGMAR1DRD2DRD4DRD3KCNH2 | |
| SCHEMBL14450490 | 0.72 | SIGMAR1 (1.00) | SIGMAR1HRH3 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0665833-B1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME (GB) | 1999-07-14 | — | — | EP | claimed |
| EP-0822814-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1998-12-09 | — | — | EP | claimed |
| EP-0822814-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-02-11 | — | — | EP | claimed |
| WO-1996032938-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-10-24 | — | — | WO | claimed |
| JP-H08502508-A | — | — | 1996-03-19 | — | — | JP | claimed |
| WO-1994010145-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-11 | — | — | WO | claimed |
| EP-0665833-B1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME (GB) | 1999-07-14 | — | — | EP | disclosed |
| EP-0822814-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1998-12-09 | — | — | EP | disclosed |
| EP-0822814-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-02-11 | — | — | EP | disclosed |
| US-5668148-A | BENIGN PROSTATIC HYPERTROPHY | MERCK & CO., INC. (US) | 1997-09-16 | — | — | US | disclosed |
| US-5631269-A | Dopamine receptor subtype ligands | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-20 | — | — | US | disclosed |
| WO-1996032938-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-10-24 | — | — | WO | disclosed |
| WO-1994010145-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-11 | — | — | WO | disclosed |