Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.72 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.72 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.72 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.72 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.72 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.72 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.72 |
| ▸ | DRD3 | P35462 | 1/20 | 0.72 |
| ▸ | HTR2B | P41595 | 1/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.72 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 3/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.71 |
| ▸ | BLM | P54132 | 1/20 | 0.71 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL7282209 | 0.92 | CYP3A4 (0.72) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL7291659 | 0.91 | CYP2D6 (0.76) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL7281632 | 0.90 | TSHR (0.69) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL7279229 | 0.90 | TSHR (0.72) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| Hydrochloric Acid SCHEMBL7300686 | 0.90 | LMNA (0.76) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL7279519 | 0.89 | CYP3A4 (0.76) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL7288487 | 0.88 | TSHR (0.72) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL7292174 | 0.88 | TSHR (0.72) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL7281161 | 0.87 | CYP2D6 (0.71) | CYP3A4CYP2D6TSHRNFKB1ADRB2 | |
| SCHEMBL7289216 | 0.87 | TSHR (0.71) | CYP3A4CYP2D6TSHRNFKB1ADRB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4567264-A | ADRENERGIC BLOCKING AGENTS | SYNTEX (U.S.A.) INC. (US) | 1986-01-28 | — | — | US | disclosed |
| EP-0126449-A1 | Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry | SYNTEX (U.S.A.) INC. (US) | 1984-11-28 | — | — | EP | disclosed |