Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CASP7 | P55210 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9769356 | 0.83 | ALDH1A1 (0.45) | ADRB2LMNAHIF1ATSHRCASP7 | |
| SCHEMBL10539121 | 0.82 | ADRB2 (0.51) | ADRB2ADRB1 | |
| SCHEMBL28419215 | 0.81 | PCSK9 (0.38) | LMNAKMT2AKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL9769158 | 0.80 | CCNE1 (0.39) | LMNATSHRKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL20819399 | 0.77 | SMN1; SMN2 (0.40) | ADRB2CYP3A4KDM4ESMN1; SMN2CYP2D6 | |
| SCHEMBL20832742 | 0.77 | SMN1; SMN2 (0.40) | ADRB2CYP3A4KDM4ESMN1; SMN2CYP2D6 | |
| Hydrochloric Acid SCHEMBL20819391 | 0.76 | SMN1; SMN2 (0.39) | ADRB2CYP3A4KDM4ESMN1; SMN2CYP2D6 | |
| Hydrochloric Acid SCHEMBL20819389 | 0.76 | SMN1; SMN2 (0.39) | ADRB2CYP3A4KDM4ESMN1; SMN2CYP2D6 | |
| SCHEMBL10483043 | 0.74 | ADRB2 (0.55) | ADRB2LMNAHIF1ATSHRCASP7 | |
| SCHEMBL28891535 | 0.74 | P2RX3 (0.37) | LMNATSHRKDM4ESMN1; SMN2CYP2D6 |
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-5019578-A | β-adrenergic agonists | MERCK & CO., INC. (US) | 1991-05-28 | — | — | US | disclosed |
| EP-0318092-A2 | Novel beta-adrenergic agonists | MERCK & CO. INC. (US) | 1989-05-31 | — | — | EP | disclosed |