Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 7/20 | 0.52 |
| ▸ | CA12 | O43570 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8669863 | 0.87 | CA12 (0.37) | CA9CA12ALDH1A1ACHEHDAC1 | |
| SCHEMBL8670888 | 0.81 | CA12 (0.49) | CA9CA12ALDH1A1CYP2C19HDAC1 | |
| SCHEMBL8666186 | 0.81 | CA9 (0.48) | CA9CA12ALDH1A1CYP2C19ACHE | |
| SCHEMBL17329453 | 0.77 | CA9 (0.73) | CA9CA12ACHEHDAC1HDAC2 | |
| SCHEMBL8667540 | 0.77 | CA12 (0.39) | CA9CA12ALDH1A1HDAC1HDAC2 | |
| SCHEMBL20311371 | 0.71 | CA9 (0.65) | CA9CA12ALDH1A1CYP2C19ACHE | |
| SCHEMBL8667643 | 0.70 | CA9 (0.51) | CA9CA12ALDH1A1CYP2C19ACHE | |
| SCHEMBL8672456 | 0.70 | ADRA1D (0.81) | ADRA1DADRA1AADRA1BHTR2AHTR7 | |
| SCHEMBL14093181 | 0.70 | CA9 (0.45) | CA9CA12ALDH1A1CYP2C19ACHE | |
| SCHEMBL1758371 | 0.69 | CA9 (1.00) | CA9CA12ALDH1A1CYP2C19ACHE |
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 |