Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A3 | O75751 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | MTOR | P42345 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11526874 | 0.87 | SLC22A3 (0.56) | SLC22A3ADRB2ADRB1ADRB3HIF1A | |
| SCHEMBL11287131 | 0.84 | ACHE (0.37) | ADRB2ADRB1HIF1ATSHRCYP2D6 | |
| SCHEMBL11284068 | 0.81 | ADRB3 (0.51) | SLC22A3ADRB2ADRB1ADRB3HIF1A | |
| SCHEMBL11525219 | 0.79 | HIF1A (0.51) | SLC22A3ADRB2ADRB1ADRB3HIF1A | |
| SCHEMBL11132348 | 0.78 | NFKB1 (0.51) | ADRB2ADRB1ADRB3HIF1ATSHR | |
| Trifluoroacetic Acid SCHEMBL11277207 | 0.78 | SLC22A3 (0.46) | SLC22A3ADRB2ADRB1ADRB3HIF1A | |
| SCHEMBL11289538 | 0.77 | ADRB2 (0.59) | SLC22A3ADRB2ADRB1ADRB3HIF1A | |
| Hydrochloric Acid SCHEMBL11289535 | 0.76 | ADRB2 (0.60) | SLC22A3ADRB2ADRB1ADRB3HIF1A | |
| SCHEMBL10897411 | 0.75 | ADRB2 (0.48) | ADRB2ADRB1HIF1ATSHRCYP2D6 | |
| SCHEMBL11281257 | 0.75 | ADRB2 (0.42) | ADRB2ADRB1ADRB3HIF1ATSHR |
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-4336400-A | BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS | STERLING DRUG INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-4138581-A | BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS | STERLING DRUGS INC. (US) | 1979-02-06 | — | — | US | disclosed |