Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 5/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | CASP7 | P55210 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
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 SCHEMBL11596685 | 0.88 | TDP1 (0.61) | ADRB2HIF1ATSHRADRB1CYP1A2 | |
| SCHEMBL11596481 | 0.83 | ADRB2 (0.47) | ADRB2HIF1ATSHRADRB1CYP1A2 | |
| SCHEMBL11517852 | 0.82 | ADRB2 (0.66) | ADRB2HIF1ATSHRADRB1CYP1A2 | |
| Colterol SCHEMBL3207818 | 0.81 | ADRB2 (0.72) | ADRB2HIF1ATSHRADRB1CYP1A2 | |
| Colterol SCHEMBL249585 | 0.81 | ADRB2 (0.72) | ADRB2HIF1ATSHRADRB1CYP1A2 | |
| Colterol SCHEMBL3220142 | 0.81 | ADRB2 (0.72) | ADRB2HIF1ATSHRADRB1CYP1A2 | |
| SCHEMBL11596475 | 0.80 | ADRB2 (0.50) | ADRB2HIF1ATSHRADRB1CYP1A2 | |
| SCHEMBL8067713 | 0.79 | ADRB2 (0.62) | ADRB2HIF1ATSHRADRB1CYP1A2 | |
| Carbuterol SCHEMBL37370 | 0.78 | ADRB2 (0.58) | ADRB2HIF1ATSHRADRB1CYP1A2 | |
| Carbuterol SCHEMBL29393729 | 0.78 | ADRB2 (0.58) | ADRB2HIF1ATSHRADRB1CYP1A2 |
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-4464377-A | SYNERGISTIS BETA-ADRENERGIC BLOCKERS AND TICLOPIDINE | SANOFI-SYNTHELABO (FR) | 1984-08-07 | — | — | US | disclosed |
| US-4161530-A | CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE | CIBA-GEIGY CORPORATION (US) | 1979-07-17 | — | — | US | disclosed |