Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 9/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 9/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 9/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 9/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 9/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 9/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 9/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 9/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1811484 | 0.91 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11108781 | 0.88 | KDM4E (0.52) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL13339692 | 0.84 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL3491586 | 0.83 | HDAC3 (0.57) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7849142 | 0.81 | ADRA1D (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL744065 | 0.79 | HDAC3 (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL4278683 | 0.79 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL18148314 | 0.79 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL18148497 | 0.78 | HDAC3 (0.60) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL18148539 | 0.77 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |