Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7849707 | 0.85 | ADRA1D (0.33) | ADRA1DADRA1AADRA1BDAO | |
| SCHEMBL7849561 | 0.76 | ADRA1D (0.44) | ADRA1DADRA1AADRA1B | |
| SCHEMBL7847548 | 0.74 | KMT2A (0.44) | ADRA1DADRA1AADRA1B | |
| SCHEMBL7844948 | 0.69 | HDAC3 (0.48) | TAAR1 | |
| SCHEMBL7844209 | 0.66 | HDAC3 (0.39) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL2366649 | 0.64 | ADRA2A (0.97) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL10965566 | 0.63 | ADRA2A (0.72) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL7845023 | 0.61 | SIGMAR1 (0.32) | — | |
| SCHEMBL9247652 | 0.60 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CTAAR1HTR1A | |
| Naphazoline SCHEMBL4629811 | 0.60 | TAAR1 (0.69) | ADRA2AADRA2BADRA2CADRA1DADRA1A |
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 |