Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 10/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 10/20 | 0.38 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | HTR7 | P34969 | 3/20 | 0.38 |
| ▸ | HTR6 | P50406 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8047953 | 0.89 | ADRA1D (0.40) | HDAC1HDAC2DRD2HTR1AHTR2A | |
| SCHEMBL8667679 | 0.85 | DRD2 (0.48) | HDAC1HDAC2DRD2HTR1AHTR2A | |
| SCHEMBL8670388 | 0.81 | HDAC1 (0.46) | HDAC1HDAC2DRD2HTR1AHTR2A | |
| SCHEMBL8047931 | 0.80 | CA9 (0.51) | HDAC1HDAC2DRD2HTR1AHTR2A | |
| SCHEMBL8668118 | 0.80 | HDAC1 (0.57) | HDAC1HDAC2CA12CA9CA1 | |
| SCHEMBL7815416 | 0.77 | ADRA1D (0.51) | DRD2HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL8667501 | 0.76 | ADRA1D (0.39) | HDAC1HDAC2CA12CA9CA1 | |
| SCHEMBL8667641 | 0.76 | ADRA1D (0.39) | HDAC1HDAC2CA12CA9CA1 | |
| SCHEMBL9659666 | 0.76 | CA12 (0.50) | HDAC1HDAC2DRD2CA12CA9 | |
| SCHEMBL9480365 | 0.73 | GAA (0.47) | DRD2HTR1AHTR2AHTR7HTR6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5760054-A | BENIGN PROSTATIC HYPERTROPHY | MERCK & CO., INC. (US) | 1998-06-02 | — | — | US | disclosed |
| EP-0755392-A4 | ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1997-05-02 | — | — | EP | disclosed |
| EP-0755392-A1 | ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1997-01-29 | — | — | EP | disclosed |
| WO-1995028397-A1 | ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-10-26 | — | — | WO | disclosed |