Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD5 | P21918 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8666189 | 0.87 | ALDH1A1 (0.36) | CA9CA12NPC1RAB9AHDAC1 | |
| SCHEMBL8669865 | 0.81 | CA9 (0.52) | CA9CA12CA2HDAC1HDAC2 | |
| SCHEMBL8670888 | 0.78 | CA12 (0.49) | CA9CA12RAB9ACA2HDAC1 | |
| SCHEMBL17329453 | 0.76 | CA9 (0.73) | CA9CA12CA2HDAC1HDAC2 | |
| SCHEMBL8671101 | 0.71 | ADRA1D (0.80) | ADRA1DADRA1AADRA1BHTR2AHTR7 | |
| SCHEMBL8667643 | 0.69 | CA9 (0.51) | CA9CA12NPC1RAB9ACA2 | |
| SCHEMBL20311371 | 0.68 | CA9 (0.65) | CA9CA12NPC1RAB9ACA2 | |
| SCHEMBL7815416 | 0.67 | ADRA1D (0.51) | CA9CA12CA2ADRA1DADRA1A | |
| SCHEMBL8667503 | 0.67 | ADRA1D (0.51) | CA9CA12NPC1RAB9ACA2 | |
| SCHEMBL8670252 | 0.67 | ADRA1D (0.53) | CA9CA12NPC1RAB9AHDAC1 |
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 |