Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 6/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| SCHEMBL14141543 | 0.83 | ADRB2 (0.62) | ADRB2ADRB1CYP2D6CYP1A2TSHR | |
| SCHEMBL6838978 | 0.81 | ADRB2 (0.66) | ADRB2ADRB1CYP2D6CYP1A2TSHR | |
| SCHEMBL12158793 | 0.81 | ADRB2 (0.66) | ADRB2ADRB1CYP2D6CYP1A2TSHR | |
| SCHEMBL11288295 | 0.80 | LMNA (0.51) | ADRB2CYP2D6CYP1A2TSHRNFKB1 | |
| Hydrochloric Acid SCHEMBL11288292 | 0.79 | ADRB2 (0.52) | ADRB2CYP2D6HIF1ATDP1 | |
| SCHEMBL5145221 | 0.78 | ADRB2 (0.56) | ADRB2ADRB1CYP2D6CYP1A2TSHR | |
| SCHEMBL7775809 | 0.78 | ADRB2 (0.56) | ADRB2ADRB1CYP2D6CYP1A2TSHR | |
| SCHEMBL7778381 | 0.78 | ADRB2 (0.56) | ADRB2ADRB1CYP2D6CYP1A2TSHR | |
| SCHEMBL11289637 | 0.77 | ADRB2 (0.63) | ADRB2ADRB1CYP2D6CYP1A2TSHR | |
| SCHEMBL11289635 | 0.77 | ADRB2 (0.59) | ADRB2ADRB1CYP2D6CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4336400-A | BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS | STERLING DRUG INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-RE30241-E | BRONCHODILATION, ADRENERGIC STIMULANTS | STERLING DRUG INC. (US) | 1980-03-25 | — | — | US | disclosed |
| US-4138581-A | BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS | STERLING DRUGS INC. (US) | 1979-02-06 | — | — | US | disclosed |