Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 9/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 9/20 | 0.48 |
| ▸ | DRD3 | P35462 | 5/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | PRCP | P42785 | 1/20 | 0.47 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL1388752 | 0.83 | SIGMAR1 (0.55) | DRD2HTR2AHTR2CKCNH2DRD4 | |
| SCHEMBL1388420 | 0.78 | DRD4 (0.68) | DRD2HTR2AHTR2CKCNH2DRD4 | |
| SCHEMBL1388660 | 0.78 | DRD4 (0.64) | DRD2HTR2AHTR2CKCNH2DRD4 | |
| SCHEMBL1388764 | 0.77 | DRD2 (0.57) | DRD2HTR2AHTR2CKCNH2DRD4 | |
| SCHEMBL10395276 | 0.74 | DRD2 (0.58) | DRD2HTR2AHTR2CKCNH2ACHE | |
| SCHEMBL1388733 | 0.72 | DRD4 (0.50) | DRD2HTR2AHTR2CKCNH2ACHE | |
| SCHEMBL12846295 | 0.71 | SMPD1 (0.55) | KCNH2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10395954 | 0.69 | DRD2 (0.50) | DRD2HTR2AHTR2CKCNH2DRD4 | |
| SCHEMBL7948566 | 0.69 | HTR2A (0.72) | DRD2HTR2AHTR2CKCNH2 | |
| SCHEMBL152736 | 0.69 | ACHE (1.00) | HTR2AHTR2CKCNH2ACHEALDH1A1 |
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 12 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 |
| EP-0665833-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 1995-08-09 | — | — | EP | 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 |
| 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 |
| EP-0665833-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 1995-08-09 | — | — | EP | disclosed |
| WO-1994010145-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-11 | — | — | WO | disclosed |