Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11286356 | 0.99 | ADRB2 (0.53) | KMT2ALMNAALDH1A1CYP3A4HIF1A | |
| Nisbuterol SCHEMBL29385412 | 0.96 | KMT2A (0.49) | KMT2ALMNAALDH1A1CYP3A4HIF1A | |
| SCHEMBL11277572 | 0.96 | KMT2A (0.49) | KMT2ALMNAALDH1A1CYP3A4HIF1A | |
| SCHEMBL11292572 | 0.95 | LMNA (0.61) | KMT2ALMNAALDH1A1CYP3A4HIF1A | |
| Hydrochloric Acid SCHEMBL11277565 | 0.95 | ADRB2 (0.49) | KMT2ALMNAALDH1A1CYP3A4HIF1A | |
| Nisbuterol SCHEMBL11286092 | 0.92 | ADRB3 (0.46) | KMT2ALMNAALDH1A1CYP3A4HIF1A | |
| SCHEMBL11279314 | 0.92 | ADRB3 (0.46) | KMT2ALMNAALDH1A1CYP3A4HIF1A | |
| SCHEMBL11286975 | 0.91 | SLC2A1 (0.49) | KMT2ALMNAALDH1A1HIF1ASLC2A1 | |
| Hydrochloric Acid SCHEMBL11286942 | 0.90 | ALDH1A1 (0.50) | KMT2ALMNAALDH1A1HIF1ASLC2A1 | |
| SCHEMBL11292028 | 0.89 | LMNA (0.50) | KMT2ALMNAALDH1A1CYP3A4HIF1A |
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 4 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 | claimed |
| 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 |