Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 9/20 | 0.75 |
| ▸ | ADRA1A | P35348 | 8/20 | 0.75 |
| ▸ | ADRA1B | P35368 | 7/20 | 0.75 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7854245 | 0.86 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BKCNH2 | |
| SCHEMBL11292731 | 0.72 | ADRA1D (0.52) | ADRA1DADRA1AADRA1BSIGMAR1HDAC1 | |
| SCHEMBL7845026 | 0.72 | ADRA1D (0.78) | ADRA1DADRA1AADRA1BSIGMAR1HDAC1 | |
| SCHEMBL11367224 | 0.71 | ADRA1D (0.51) | ADRA1DADRA1AADRA1BHDAC1KCNH2 | |
| SCHEMBL7835030 | 0.71 | ADRA1D (0.75) | ADRA1DADRA1AADRA1BKCNH2 | |
| SCHEMBL7846352 | 0.70 | ADRA1D (0.40) | ADRA1DADRA1AADRA1BHDAC1HDAC3 | |
| SCHEMBL11362024 | 0.70 | ADRA1D (0.50) | ADRA1DADRA1AADRA1BHDAC1KCNH2 | |
| SCHEMBL26508424 | 0.69 | HTR2A (0.68) | CHRNA7HDAC1KCNH2 | |
| SCHEMBL8565626 | 0.69 | HDAC3 (0.59) | ADRA1DADRA1AADRA1BSIGMAR1HDAC1 | |
| SCHEMBL9854607 | 0.69 | HDAC3 (0.57) | ADRA1DADRA1AADRA1BSIGMAR1HDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0831824-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2001-05-02 | — | — | EP | disclosed |
| EP-0831824-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996039140-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-12-12 | — | — | WO | disclosed |