Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8670248 | 0.90 | L3MBTL1 (0.44) | HDAC1HDAC2ELANECA12CA9 | |
| SCHEMBL8670390 | 0.86 | HDAC1 (0.53) | HDAC1HDAC2ELANECA12CA9 | |
| SCHEMBL8667683 | 0.81 | HDAC1 (0.38) | HDAC1HDAC2CA12CA9CA1 | |
| SCHEMBL8670252 | 0.79 | ADRA1D (0.53) | HDAC1HDAC2CA12CA9CA1 | |
| SCHEMBL8047912 | 0.78 | L3MBTL1 (0.38) | HDAC1HDAC2CA12CA9NPC1 | |
| SCHEMBL8047931 | 0.77 | CA9 (0.51) | HDAC1HDAC2ELANECA12CA9 | |
| SCHEMBL8668118 | 0.77 | HDAC1 (0.57) | HDAC1HDAC2CA12CA9CA1 | |
| SCHEMBL8667641 | 0.75 | ADRA1D (0.39) | HDAC1HDAC2CA12CA9CA1 | |
| SCHEMBL8668865 | 0.73 | ELANE (0.41) | HDAC1HDAC2ELANECA12CA9 | |
| SCHEMBL8667501 | 0.73 | ADRA1D (0.39) | HDAC1HDAC2CA12CA9CA1 |
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 |