Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 10/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 10/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 10/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.40 |
| ▸ | CHRNG | P07510 | 2/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.40 |
| ▸ | CHRND | Q07001 | 2/20 | 0.40 |
| ▸ | TLR2 | O60603 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | MC5R | P33032 | 1/20 | 0.39 |
| ▸ | MC3R | P41968 | 1/20 | 0.39 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2565853 | 0.79 | ACHE (0.42) | ADRB2ADRB1ADRB3BCHEACHE | |
| SCHEMBL10876995 | 0.76 | SCN8A (0.49) | MEN1ALDH1A1KMT2AMC4RMC5R | |
| SCHEMBL2572147 | 0.75 | CHRM2 (0.46) | KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL5451323 | 0.75 | ADRB2 (0.55) | ADRB2ADRB1ADRB3 | |
| SCHEMBL9762664 | 0.74 | SIGMAR1 (0.49) | ADRB2ADRB1ADRB3KDM4EBCHE | |
| SCHEMBL9763151 | 0.73 | BCHE (0.49) | ADRB2ADRB1ADRB3KDM4EBCHE | |
| SCHEMBL16152208 | 0.72 | CHRM2 (0.62) | MC4RMC5RMC3R | |
| SCHEMBL16260100 | 0.72 | CHRM2 (0.62) | MC4RMC5RMC3R | |
| SCHEMBL27804714 | 0.71 | HTR6 (0.51) | ACHE | |
| Hydrochloric Acid SCHEMBL29778300 | 0.70 | CHRM2 (0.61) | MC4RMC5RMC3R |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013183-B1 | DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR | ALMIRALL SA (ES) | 2011-11-02 | — | — | EP | disclosed |