Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 9/20 | 0.42 |
| ▸ | HTR2A | P28223 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL480922 | 0.85 | CYP3A4 (0.41) | CYP1A2KDM4EL3MBTL1KMT2ATDP1 | |
| SCHEMBL168309 | 0.83 | TAAR1 (0.56) | TAAR1HTR2ACYP2A6CYP1A2KDM4E | |
| Phenethylamine SCHEMBL27558781 | 0.80 | HTR2A (0.67) | TAAR1HTR2ACYP2A6CYP1A2CYP2C19 | |
| SCHEMBL2154504 | 0.73 | KMT2A (0.47) | CYP2A6CYP1A2KDM4EL3MBTL1KMT2A | |
| SCHEMBL2421870 | 0.73 | MEN1 (0.52) | CYP1A2ALDH1A1KMT2ATDP1CYP3A4 | |
| SCHEMBL3810558 | 0.72 | LOXL2 (0.58) | TAAR1KDM4EKMT2ATDP1LOXL2 | |
| SCHEMBL141424 | 0.72 | TDP1 (0.50) | KDM4EALDH1A1L3MBTL1KMT2ATDP1 | |
| SCHEMBL224548 | 0.71 | TAAR1 (0.72) | TAAR1HTR2ACYP2A6CYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL20270668 | 0.70 | TDP1 (0.48) | KDM4EALDH1A1L3MBTL1KMT2ATDP1 | |
| SCHEMBL11221908 | 0.70 | TAAR1 (0.52) | TAAR1HTR2ACYP2A6CYP1A2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1641465-A2 | COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID | Theravance, Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005025555-A2 | COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID | THERAVANCE, INC. (US) | 2005-03-24 | — | — | WO | disclosed |
| EP-1446379-A1 | ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS | Theravance, Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003042164-A1 | ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC (US) | 2003-05-22 | — | — | WO | disclosed |